EVODEX.1-P4721

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E209 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[#6:16](=[#8:17])-[#6@:18].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:14]-[#8:15]-[H].[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

EVODEX.1-C959 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:11].[#6@:5]).[#6:18]-[#8:20]>>([#7:11]-[#6:18].[#6@@:5]).[H]-[#8:20]

EVODEX.1-N1797 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:11](-[#6:10])-[H:28].[#7:6]-[#6@:5](-[#6:3])(-[#6:12])-[H:42]).[#6:17]-[#6:18](=[#8:19])-[#8:20]-[#6:21]>>([#6:3]-[#6@@:5](-[#7:6])(-[#6:12])-[H:42].[#6:10]-[#7:11](-[#6:18](-[#6:17])=[#8:19])-[H:28]).[H]-[#8:20]-[#6:21]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5538

Full Reaction Rendering

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