EVODEX.1-P5021

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]([N:3]([H:34])[H:35])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:44]):[C:26]([H:45]):[C:27]([N+:28](=[O:29])[O-:30]):[C:31]([H:46]):[C:32]:1[H:47])([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57])[H:58].[H][O:33][H:59]>>[C:10](=[O:11])([O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[O:33][H:59].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:58])[N:3]([H:34])[H:35])[H:57])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:44]):[C:26]([H:45]):[C:27]([N+:28](=[O:29])[O-:30]):[C:31]([H:46]):[C:32]:1[H:47])([H:48])[H:49])[H:50])[H:43]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E177 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28].[#8:20](-[H:38])-[H]>>[#6:7](=[#8:8])(-[#8:9])-[#8:20]-[H:38].[#7:6](-[#6@@:5])(-[H:28])-[H]

EVODEX.1-C77 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#7:6]-[#6:7].[H]-[#8:56]>>[H]-[#7:6]-[#6@:5].[#6:7]-[#8:56]

EVODEX.1-N1243 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6@:8](-[#7:9](-[#6:10](=[#8:11])-[#8:12])-[H:43])(-[#6:20])-[H:50].[H]-[#8:33]-[H:59]>>[#6:10](=[#8:11])(-[#8:12])-[#8:33]-[H:59].[H]-[#7:9](-[#6@@:8](-[#6:7])(-[#6:20])-[H:50])-[H:43]

EVODEX.1-Em618 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm553 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

Source Full Reactions

EVODEX.1-R5802

Full Reaction Rendering

[N:1](=[C:2]([N:3]([H:34])[H:35])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:44]):[C:26]([H:45]):[C:27]([N+:28](=[O:29])[O-:30]):[C:31]([H:46]):[C:32]:1[H:47])([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57])[H:58].[H][O:33][H:59]>>[C:10](=[O:11])([O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[O:33][H:59].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:58])[N:3]([H:34])[H:35])[H:57])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:44]):[C:26]([H:45]):[C:27]([N+:28](=[O:29])[O-:30]):[C:31]([H:46]):[C:32]:1[H:47])([H:48])[H:49])[H:50])[H:43]