EVODEX.1-P575

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:22]([N:21]([C:19]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:40])([H:41])[H:42])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:43])[H:44])([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([O:15][H:47]):[C:16]([I:17]):[C:18]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:20])[H:56])([C:23](=[O:24])[O:25][H:53])[H:54].[H][O:35][C:34]1=[C:36]([O:37][H])[C:27](=[O:26])[O:28][C@@:29]1([C@@:30]([O:31][H:62])([C:32]([O:33][H:63])([H:64])[H:65])[H:66])[H:67].[O:38]=[O:39]>>[H][O:38][C:22]([N:21]([C:19]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:40])([H:41])[H:42])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:43])[H:44])([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([O:15][H:47]):[C:16]([I:17]):[C:18]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:20])[H:56])([C:23](=[O:24])[O:25][H:53])[H:54].[O:26]=[C:27]1[O:28][C@@:29]([C@@:30]([O:31][H:62])([C:32]([O:33][H:63])([H:64])[H:65])[H:66])([H:67])[C:34](=[O:35])[C:36]1=[O:37].[H][O:39][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-R544

Full Reaction Rendering

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