EVODEX.1-P580

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[H][O:34][C:33]1=[C:35]([O:36][H])[C:26](=[O:25])[O:27][C@@:28]1([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])[H:67].[O:37]=[O:38]>>[H][O:37][C@:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[O:25]=[C:26]1[O:27][C@@:28]([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])([H:67])[C:33](=[O:34])[C:35]1=[O:36].[H][O:38][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E300 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H].[#8:31]=[#8:32]>>[#7:8]-[#6:9](-[#6:10])(-[#8:31]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30].[#8:32](-[H])-[H]

EVODEX.1-C221 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-N199 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Em281 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39](-[#8:40]-[H])-[#6:30]=[#8:29].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#8:29]=[#6:30]-[#6:39](-[#6:37]=[#8:38])=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Cm199 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-Nm279 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

Source Full Reactions

EVODEX.1-R547

Full Reaction Rendering

[H][C:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[H][O:34][C:33]1=[C:35]([O:36][H])[C:26](=[O:25])[O:27][C@@:28]1([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])[H:67].[O:37]=[O:38]>>[H][O:37][C@:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[O:25]=[C:26]1[O:27][C@@:28]([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])([H:67])[C:33](=[O:34])[C:35]1=[O:36].[H][O:38][H]