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EVODEX.1-Nm158

SMIRKS

Operator SMIRKS Rendering

[#6]-[#8]-[#6:13](-[#6:11])-[#8:27].[H]-[#8:39]>>[#6:11]-[#6:13](-[#8:39])-[#8:27]

Source Partial Reactions

EVODEX.1-P4316

Partial Reaction Rendering

[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@:4]2([H:53])[C@:3]([C:2](=[C:1]([H:75])[H:76])[H:74])([H:41])[C@:24]([C:25]([C@:26]3([H:58])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]4:[C:31]3:[N:32]([H:64]):[C:33]3:[C:34]([C:35]([H:65])([H:66])[H:67]):[C:36]([H:68]):[C:37]([H:69]):[C:38]([H:70]):[C:39]:4:3)([H:71])[H:72])([H:73])[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])=[C:18]([H:54])[O:17]2)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H].[H][O:40][H:77]>>[C:1](=[C:2]([C@:3]1([H:41])[C@:4]([O:40][H:77])([H:53])[O:17][C:18]([H:54])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])[C@@:24]1([C:25]([C@:26]1([H:58])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]2:[C:31]1:[N:32]([H:64]):[C:33]1:[C:34]([C:35]([H:65])([H:66])[H:67]):[C:36]([H:68]):[C:37]([H:69]):[C:38]([H:70]):[C:39]:2:1)([H:71])[H:72])[H:73])[H:74])([H:75])[H:76]

EVODEX.1-P4322

Partial Reaction Rendering

[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@@:4]2([H:55])[C@@:3]([C:2](=[C:1]([H:75])[H:76])[H:74])([H:43])[C@@:24]([C:25]([C@@:26]3([H:60])[C:27]4:[N:28]([H:61]):[C:29]5:[C:30]([H:62]):[C:31]([H:63]):[C:32]([H:64]):[C:33]([H:65]):[C:34]:5:[C:35]:4[C:36]([H:66])([H:67])[C:37]([H:68])([H:69])[N:38]3[C:39](=[O:40])[O:41][H:70])([H:71])[H:72])([H:73])[C:19]([C:20](=[O:21])[O:22][C:23]([H:57])([H:58])[H:59])=[C:18]([H:56])[O:17]2)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H].[H][O:42][H:77]>>[C:1](=[C:2]([C@@:3]1([H:43])[C@@:4]([O:42][H:77])([H:55])[O:17][C:18]([H:56])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:57])([H:58])[H:59])[C@:24]1([C:25]([C@@:26]1([H:60])[C:27]2:[N:28]([H:61]):[C:29]3:[C:30]([H:62]):[C:31]([H:63]):[C:32]([H:64]):[C:33]([H:65]):[C:34]:3:[C:35]:2[C:36]([H:66])([H:67])[C:37]([H:68])([H:69])[N:38]1[C:39](=[O:40])[O:41][H:70])([H:71])[H:72])[H:73])[H:74])([H:75])[H:76]

EVODEX.1-P4334

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:28][H:53]>>[C:1](=[C:2]([C@@:3]1([H:29])[C@:4]([O:28][H:53])([H:41])[O:17][C:18]([H:42])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])[C@:24]1([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]

EVODEX.1-P4347

Partial Reaction Rendering

[H]C1:C(O[C@@:6]2([H:37])[C@@:5]([N:4]([C:2]([C:1]([H:47])([H:48])[H:49])=[O:3])[H:46])([H:29])[C@:26]([O:27][H:44])([H:45])[C@@:24]([O:25][H:42])([H:43])[C@:21]([C:22]([O:23][H:38])([H:39])[H:40])([H:41])[O:20]2):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:28][H:50]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:29])[C@@:6]([O:28][H:50])([H:37])[O:20][C@@:21]([C:22]([O:23][H:38])([H:39])[H:40])([H:41])[C@:24]([O:25][H:42])([H:43])[C@@:26]1([O:27][H:44])[H:45])[H:46])([H:47])([H:48])[H:49]

EVODEX.1-P4348

Partial Reaction Rendering

[H]C1:C(O[C@@:6]2([H:51])[C@@:5]([N:4]([C:2]([C:1]([H:72])([H:73])[H:74])=[O:3])[H:71])([H:43])[C@:40]([O:41][H:69])([H:70])[C@@:24]([O:25][C@:26]3([H:56])[O:27][C@@:28]([C:29]([O:30][H:57])([H:58])[H:59])([H:60])[C@:31]([O:32][H:61])([H:62])[C@@:33]([O:34][H:63])([H:64])[C@:35]3([N:36]([C:37](=[O:38])[O:39][H:65])[H:66])[H:67])([H:68])[C@:21]([C:22]([O:23][H:52])([H:53])[H:54])([H:55])[O:20]2):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:42][H:75]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:43])[C@@:6]([O:42][H:75])([H:51])[O:20][C@@:21]([C:22]([O:23][H:52])([H:53])[H:54])([H:55])[C@:24]([O:25][C@:26]2([H:56])[O:27][C@@:28]([C:29]([O:30][H:57])([H:58])[H:59])([H:60])[C@:31]([O:32][H:61])([H:62])[C@@:33]([O:34][H:63])([H:64])[C@:35]2([N:36]([C:37](=[O:38])[O:39][H:65])[H:66])[H:67])([H:68])[C@@:40]1([O:41][H:69])[H:70])[H:71])([H:72])([H:73])[H:74]

EVODEX.1-P4402

Partial Reaction Rendering

[H]C1:C(O[C@@:6]2([H:46])[C@@:5]([N:4]([C:2]([C:1]([H:62])([H:63])[H:64])=[O:3])[H:61])([H:38])[C@:32]([O:33][C:34]([C:35]([H:57])([H:58])[H:59])=[O:36])([H:60])[C@@:27]([O:28][C:29]([C:30]([H:53])([H:54])[H:55])=[O:31])([H:56])[C@:21]([C:22]([O:23][C:24]([C:25]([H:47])([H:48])[H:49])=[O:26])([H:50])[H:51])([H:52])[O:20]2):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:37][H:65]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:38])[C@@:6]([O:37][H:65])([H:46])[O:20][C@@:21]([C:22]([O:23][C:24]([C:25]([H:47])([H:48])[H:49])=[O:26])([H:50])[H:51])([H:52])[C@:27]([O:28][C:29]([C:30]([H:53])([H:54])[H:55])=[O:31])([H:56])[C@@:32]1([O:33][C:34]([C:35]([H:57])([H:58])[H:59])=[O:36])[H:60])[H:61])([H:62])([H:63])[H:64]

EVODEX.1-P4422

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:10]2([H:42])[O:9][C:7]3:[C:6](:[C:5]([H:29]):[C:4]([H:28]):[C:3]([O:2][C:1]([H:44])([H:45])[H:46]):[C:8]:3[H:30])[N:25]([O:26][H:43])[C:23]2=[O:24])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:27][H:47]>>[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]2:[C:7](:[C:8]:1[H:30])[O:9][C@:10]([O:27][H:47])([H:42])[C:23](=[O:24])[N:25]2[O:26][H:43])([H:44])([H:45])[H:46]

EVODEX.1-P4446

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:51])[C:3](=[C:2]([C:1]([H:69])([H:70])[H:71])[H:68])[C@@:24]([C:25]([C:26](=[O:27])[O:28][C:29]([C:30]([C:31]3:[C:32]([H:56]):[C:33]([H:57]):[C:34]([O:35][H:58]):[C:36]([O:37][H:59]):[C:38]:3[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[C:19]([C:20](=[O:21])[O:22][C:23]([H:53])([H:54])[H:55])=[C:18]([H:52])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:39][H:72]>>[C:1]([C:2](=[C:3]1[C@:4]([O:39][H:72])([H:51])[O:17][C:18]([H:52])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:53])([H:54])[H:55])[C@:24]1([C:25]([C:26](=[O:27])[O:28][C:29]([C:30]([C:31]1:[C:32]([H:56]):[C:33]([H:57]):[C:34]([O:35][H:58]):[C:36]([O:37][H:59]):[C:38]:1[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:68])([H:69])([H:70])[H:71]

EVODEX.1-P4492

Partial Reaction Rendering

[H]C1:C(O[C@:6]2([H:41])[C@:5]([N:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])[H:50])([H:33])[C@:30]([O:31][H:48])([H:49])[C@@:28]([O:29][H:46])([H:47])[C@@:21]([C:22]([O:23][S:24](=[O:25])(=[O:26])[O:27][H:42])([H:43])[H:44])([H:45])[O:20]2):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:32][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:33])[C:6]([O:32][H:54])([H:41])[O:20][C@:21]([C:22]([O:23][S:24](=[O:25])(=[O:26])[O:27][H:42])([H:43])[H:44])([H:45])[C@:28]([O:29][H:46])([H:47])[C@@:30]1([O:31][H:48])[H:49])[H:50])([H:51])([H:52])[H:53]

EVODEX.1-P4493

Partial Reaction Rendering

[H]C1:C(O[C@@:13]2([H:53])[C@@:11]([O:12][H:44])([H:45])[C@:9]([O:10][H:42])([H:43])[C@:8]([O:7][C@:6]3([H:58])[C@@:5]([N:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3])[H:67])([H:40])[C@:37]([O:38][H:65])([H:66])[C@@:35]([O:36][H:63])([H:64])[C@:32]([C:33]([O:34][H:59])([H:60])[H:61])([H:62])[O:31]3)([H:41])[C@:28]([C:29]([O:30][H:54])([H:55])[H:56])([H:57])[O:27]2):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:39][H:71]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:40])[C@:6]([O:7][C@:8]2([H:41])[C@@:9]([O:10][H:42])([H:43])[C@:11]([O:12][H:44])([H:45])[C@@:13]([O:39][H:71])([H:53])[O:27][C@@:28]2([C:29]([O:30][H:54])([H:55])[H:56])[H:57])([H:58])[O:31][C@@:32]([C:33]([O:34][H:59])([H:60])[H:61])([H:62])[C@:35]([O:36][H:63])([H:64])[C@@:37]1([O:38][H:65])[H:66])[H:67])([H:68])([H:69])[H:70]