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EVODEX.1-Em49

SMIRKS

Operator SMIRKS Rendering

[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]

Source Partial Reactions

EVODEX.1-P4053

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])O[C:18](=[O:19])[C@:20]([N:21]([H:28])[H:29])([C:22]1:[C:23]([H:30]):[C:24]([H:31]):[C:25]([H:32]):[C:26]([H:33]):[C:27]:1[H:34])[H:35].[H][N:11]([C@:10]1([H:44])[C:8](=[O:9])[N:7]2[C:3]([C:4](=[O:5])[O:6][H:41])=[C:2]([C:1]([H:48])([H:49])[H:50])[C:14]([H:46])([H:47])[S:13][C@@:12]21[H:45])[H:42]>>[C:1]([C:2]1=[C:3]([C:4](=[O:5])[O:6][H:41])[N:7]2[C:8](=[O:9])[C@:10]([N:11]([C:18](=[O:19])[C@:20]([N:21]([H:28])[H:29])([C:22]3:[C:23]([H:30]):[C:24]([H:31]):[C:25]([H:32]):[C:26]([H:33]):[C:27]:3[H:34])[H:35])[H:42])([H:44])[C@@:12]2([H:45])[S:13][C:14]1([H:46])[H:47])([H:48])([H:49])[H:50]

EVODEX.1-P4054

Partial Reaction Rendering

[H]C([H])([H])O[C:17](=[O:18])[C@@:19]([N:20]([H:27])[H:28])([C:21]1:[C:22]([H:29]):[C:23]([H:30]):[C:24]([H:31]):[C:25]([H:32]):[C:26]:1[H:33])[H:34].[H][N:11]([C@:10]1([H:41])[C:8](=[O:9])[N:7]2[C:3]([C:4](=[O:5])[O:6][H:38])=[C:2]([C:1]([H:45])([H:46])[H:47])[C:14]([H:43])([H:44])[S:13][C@@:12]21[H:42])[H:39]>>[C:1]([C:2]1=[C:3]([C:4](=[O:5])[O:6][H:38])[N:7]2[C:8](=[O:9])[C@:10]([N:11]([C:17](=[O:18])[C@@:19]([N:20]([H:27])[H:28])([C:21]3:[C:22]([H:29]):[C:23]([H:30]):[C:24]([H:31]):[C:25]([H:32]):[C:26]:3[H:33])[H:34])[H:39])([H:41])[C@@:12]2([H:42])[S:13][C:14]1([H:43])[H:44])([H:45])([H:46])[H:47]

EVODEX.1-P4060

Partial Reaction Rendering

[H]C([H])([H])O[C:3](=[O:4])[C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42]>>[C:3](=[O:4])([C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42]

EVODEX.1-P4700

Partial Reaction Rendering

[H][N:6]([C@@:5]([C:3]([O:2][C:1]([H:35])([H:36])[H:37])=[O:4])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])[H:25].[H]C1:C([H]):C([H]):C(C([H])([H])O[C:11](=[O:10])[C@:20]2([H:45])[C:21]([H:46])([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[N:24]2[H:52]):C([H]):C:1[H]>>[C:1]([O:2][C:3](=[O:4])[C@:5]([N:6]([C:11](=[O:10])[C@:20]1([H:45])[C:21]([H:46])([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[N:24]1[H:52])[H:25])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])([H:35])([H:36])[H:37]

EVODEX.1-P4702

Partial Reaction Rendering

[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:40])([H:41])[H:42])=[O:4])([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:27].[H]C1:C([H]):C([H]):C(C([H])([H])O[C:17]([C:16]([C:15]([N:14]([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])=[O:18]):C([H]):C:1[H]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:17]([C:16]([C:15]([N:14]([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])=[O:18])[H:27])([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([H:40])([H:41])[H:42]

EVODEX.1-P4707

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])O[C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46].[H][N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63]>>[C:4](=[O:5])([C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63]

EVODEX.1-P4709

Partial Reaction Rendering

[H][N:7]([C@:6]([C:4]([O:3][C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])=[O:5])([C:8]([C:9]([C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])[H:27].[H]C1:C([H]):C([H]):C(C([H])([H])O[C:13](=[O:12])[C@@:22]2([H:51])[C:23]([H:52])([H:53])[C:24]([H:54])([H:55])[C:25]([H:56])([H:57])[N:26]2[H:58]):C([H]):C:1[H]>>[C:1]([C:2]([O:3][C:4](=[O:5])[C@@:6]([N:7]([C:13](=[O:12])[C@@:22]1([H:51])[C:23]([H:52])([H:53])[C:24]([H:54])([H:55])[C:25]([H:56])([H:57])[N:26]1[H:58])[H:27])([C:8]([C:9]([C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])([H:42])[H:43]

EVODEX.1-P4713

Partial Reaction Rendering

[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:36])([H:37])[H:38])=[O:4])([C:7]([C:8]([S:9][C:10]([H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35])[H:26].[H]C1:C([H]):C([H]):C(C([H])([H])O[C:12](=[O:11])[C@@:21]2([H:46])[C:22]([H:47])([H:48])[C:23]([H:49])([H:50])[C:24]([H:51])([H:52])[N:25]2[H:53]):C([H]):C:1[H]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:12](=[O:11])[C@@:21]1([H:46])[C:22]([H:47])([H:48])[C:23]([H:49])([H:50])[C:24]([H:51])([H:52])[N:25]1[H:53])[H:26])([C:7]([C:8]([S:9][C:10]([H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38]

EVODEX.1-P4715

Partial Reaction Rendering

[H][N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:34]):[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]:1[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45].[H]C1:C([H]):C([H]):C(C([H])([H])O[C:15](=[O:14])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]2([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[C:24]([H:52])([H:53])[N:25]2[H:54])[H:55])([H:56])[H:57])([H:58])[H:59]):C([H]):C:1[H]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:34]):[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]:1[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([C:15](=[O:14])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]1([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[C:24]([H:52])([H:53])[N:25]1[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:45]

EVODEX.1-P4716

Partial Reaction Rendering

[H][N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19].[H]C([H])([H])O[C:3](=[O:4])[C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37]>>[C:3](=[O:4])([C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37])[N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19]

EVODEX.1-P5005

Partial Reaction Rendering

[H]C([H])([H])O[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:31])([H:32])[H:33])([H:34])[H:35])([N:20]([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:44].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:58])([H:59])[H:60])([C:3]([H:48])([H:49])[H:50])[H:57])([H:55])[H:56])([C:7](=[O:8])[O:9][H:53])[H:54])[H:51]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([C@:5]([N:6]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:31])([H:32])[H:33])([H:34])[H:35])([N:20]([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:44])[H:51])([C:7](=[O:8])[O:9][H:53])[H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]

EVODEX.1-P5007

Partial Reaction Rendering

[H]C([H])([H])O[C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:52])([H:53])[H:54])[H:64])([H:62])[H:63])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])[H:55]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C:4]([C@:5]([N:6]([C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48])[H:55])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]

EVODEX.1-P5016

Partial Reaction Rendering

[H]C([H])([H])O[C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])([H:38])[H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44].[H][N:23]([C@@:22]([C:21]([H:57])([H:58])[H:59])([C:24](=[O:25])[N:26]([O:27][H:50])[C@@:28]([C:29]([H:51])([H:52])[H:53])([C:30](=[O:31])[O:32][H:54])[H:55])[H:56])[H:48]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])([H:38])[H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44])[N:23]([C@@:22]([C:21]([H:57])([H:58])[H:59])([C:24](=[O:25])[N:26]([O:27][H:50])[C@@:28]([C:29]([H:51])([H:52])[H:53])([C:30](=[O:31])[O:32][H:54])[H:55])[H:56])[H:48]

EVODEX.1-P5017

Partial Reaction Rendering

[H]C([H])([H])O[C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:38]):[C:14]([H:39]):[C:15]([H:40]):[C:16]([H:41]):[C:17]:1[H:42])([H:43])[H:44])[H:45])([C:18](=[O:19])[O:20][H:46])[H:47])([H:48])[H:49].[H][N:23]([C@@:22]([C:21]([H:67])([H:68])[H:69])([C:24](=[O:25])[N:26]([C@@:27]([C:28]([H:55])([H:56])[H:57])([C:29](=[O:30])[N:31]([O:32][H:58])[C@@:33]([C:34]([H:59])([H:60])[H:61])([C:35](=[O:36])[O:37][H:62])[H:63])[H:64])[H:65])[H:66])[H:53]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:38]):[C:14]([H:39]):[C:15]([H:40]):[C:16]([H:41]):[C:17]:1[H:42])([H:43])[H:44])[H:45])([C:18](=[O:19])[O:20][H:46])[H:47])([H:48])[H:49])[N:23]([C@@:22]([C:21]([H:67])([H:68])[H:69])([C:24](=[O:25])[N:26]([C@@:27]([C:28]([H:55])([H:56])[H:57])([C:29](=[O:30])[N:31]([O:32][H:58])[C@@:33]([C:34]([H:59])([H:60])[H:61])([C:35](=[O:36])[O:37][H:62])[H:63])[H:64])[H:65])[H:66])[H:53]

EVODEX.1-P5018

Partial Reaction Rendering

[H]C([H])([H])O[C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41].[H][N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50]

EVODEX.1-P5208

Partial Reaction Rendering

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EVODEX.1-P5267

Partial Reaction Rendering

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EVODEX.1-P5268

Partial Reaction Rendering

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EVODEX.1-P5270

Partial Reaction Rendering

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EVODEX.1-P5273

Partial Reaction Rendering

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