EVODEX Logo

EVODEX.1-E1288

SMIRKS

Operator SMIRKS Rendering

[#6:31](-[#6@@:23])(=[#8:32])-[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])=[#6]-2-[#6](-[H])(-[H])-[H])-[H].[#8:45](-[H:90])-[H]>>[#6:31](-[#6@@:23])(=[#8:32])-[#8:45]-[H:90]

Source Partial Reactions

EVODEX.1-P5230

Partial Reaction Rendering

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:10](=[O:11])[C@:12]([C:13]([C:14](=[O:15])[O:16][H:50])([H:51])[H:52])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:53])([H:54])[H:55])([H:56])[H:57])([N:30]([C:31](=[O:32])[C@@:33]([N:34]([H:58])[H:59])([C:35]([C:36](=[O:37])[O:38][H:60])([H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([C:39]([C:40]([H:67])([H:68])[H:69])([C:41]([H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76]):C([H]):C:2OC1([H])[H].[H][O:45][H:83]>>[C:10](=[O:11])([C@:12]([C:13]([C:14](=[O:15])[O:16][H:50])([H:51])[H:52])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:53])([H:54])[H:55])([H:56])[H:57])([N:30]([C:31](=[O:32])[C@@:33]([N:34]([H:58])[H:59])([C:35]([C:36](=[O:37])[O:38][H:60])([H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([C:39]([C:40]([H:67])([H:68])[H:69])([C:41]([H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[O:45][H:83]

EVODEX.1-P4596

Partial Reaction Rendering

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([N:6]([H:22])[H:23])[H:34])=[O:8]):C([H]):C:2OC1([H])[H].[H][O:21][H:42]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[O:21][H:42])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]

EVODEX.1-P4595

Partial Reaction Rendering

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:10](=[O:11])[C@@:12]([N:13]([H:32])[H:33])([C:14]([C:15]3:[C:16]([H:34]):[N:17]([H:35]):[C:18]4:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:3:4)([H:40])[H:41])[H:42]):C([H]):C:2OC1([H])[H].[H][O:27][H:49]>>[C:10](=[O:11])([C@@:12]([N:13]([H:32])[H:33])([C:14]([C:15]1:[C:16]([H:34]):[N:17]([H:35]):[C:18]2:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1:2)([H:40])[H:41])[H:42])[O:27][H:49]

EVODEX.1-P4813

Partial Reaction Rendering

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:14]([C@@:13]3([H:47])[N:9]([C:7]([C@:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([N:6]([H:29])[H:30])[H:48])=[O:8])[C:10]([H:31])([H:32])[C:11]([H:33])([H:34])[C:12]3([H:35])[H:36])=[O:15]):C([H]):C:2OC1([H])[H].[H][O:28][H:58]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([H:29])[H:30])([C:7](=[O:8])[N:9]1[C:10]([H:31])([H:32])[C:11]([H:33])([H:34])[C:12]([H:35])([H:36])[C@:13]1([C:14](=[O:15])[O:28][H:58])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57]

EVODEX.1-P4819

Partial Reaction Rendering

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:14]([C@@:13]3([H:50])[N:9]([C:7]([C@:5]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([N:6]([H:32])[H:33])[H:51])=[O:8])[C:10]([H:34])([H:35])[C:11]([H:36])([H:37])[C:12]3([H:38])[H:39])=[O:15]):C([H]):C:2OC1([H])[H].[H][O:28][H:58]>>[C:1]([C:2]([C:3]([C:4]([H:29])([H:30])[H:31])([C@:5]([N:6]([H:32])[H:33])([C:7](=[O:8])[N:9]1[C:10]([H:34])([H:35])[C:11]([H:36])([H:37])[C:12]([H:38])([H:39])[C@:13]1([C:14](=[O:15])[O:28][H:58])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57]