EVODEX.1-P560

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:12]1[C:11]2:[C:4](:[N:5]:[C:6]([N:7]([H:31])[H:32]):[N:8]([H:33]):[C:9]:2=[O:10])[N:3]([H:30])[C:2]([C:1]([H:39])([H:40])[H:41])([H:29])[C:13]1([H])[C:14]([H:35])([H:36])[H:37].[H][C:21]1([H:47])[C:20]([H:45])([H:46])[C:19]([H:43])([H:44])[C:18]([C:17]([C@:16]([N:15]([H:57])[H:58])([C:24](=[O:25])[O:26][H:55])[H:56])([H:53])[H:54])([H:42])[C:23]([H:51])([H:52])[C:22]1([H:49])[H:50].[O:27]=[O:28]>>[C:1]([C:2]1([H:29])[N:3]([H:30])[C:4]2:[N:5]:[C:6]([N:7]([H:31])[H:32]):[N:8]([H:33]):[C:9](=[O:10]):[C:11]:2[N:12]=[C:13]1[C:14]([H:35])([H:36])[H:37])([H:39])([H:40])[H:41].[H][O:27][C:21]1([H:47])[C:20]([H:45])([H:46])[C:19]([H:43])([H:44])[C:18]([C:17]([C@:16]([N:15]([H:57])[H:58])([C:24](=[O:25])[O:26][H:55])[H:56])([H:53])[H:54])([H:42])[C:23]([H:51])([H:52])[C:22]1([H:49])[H:50].[H][O:28][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E293 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[#6:8]-[#6:9](-[#6:10])(-[#8:40]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[#8:41](-[H])-[H]

EVODEX.1-C216 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:9].[H]-[#6@:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-N193 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Em275 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Cm194 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:9].[H]-[#6:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-Nm273 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

Source Full Reactions

EVODEX.1-R534

Full Reaction Rendering

[H][N:12]1[C:11]2:[C:4](:[N:5]:[C:6]([N:7]([H:31])[H:32]):[N:8]([H:33]):[C:9]:2=[O:10])[N:3]([H:30])[C:2]([C:1]([H:39])([H:40])[H:41])([H:29])[C:13]1([H])[C:14]([H:35])([H:36])[H:37].[H][C:21]1([H:47])[C:20]([H:45])([H:46])[C:19]([H:43])([H:44])[C:18]([C:17]([C@:16]([N:15]([H:57])[H:58])([C:24](=[O:25])[O:26][H:55])[H:56])([H:53])[H:54])([H:42])[C:23]([H:51])([H:52])[C:22]1([H:49])[H:50].[O:27]=[O:28]>>[C:1]([C:2]1([H:29])[N:3]([H:30])[C:4]2:[N:5]:[C:6]([N:7]([H:31])[H:32]):[N:8]([H:33]):[C:9](=[O:10]):[C:11]:2[N:12]=[C:13]1[C:14]([H:35])([H:36])[H:37])([H:39])([H:40])[H:41].[H][O:27][C:21]1([H:47])[C:20]([H:45])([H:46])[C:19]([H:43])([H:44])[C:18]([C:17]([C@:16]([N:15]([H:57])[H:58])([C:24](=[O:25])[O:26][H:55])[H:56])([H:53])[H:54])([H:42])[C:23]([H:51])([H:52])[C:22]1([H:49])[H:50].[H][O:28][H]