EVODEX.1-P3442

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:12][C:11]([C@:10]1([H:40])[C@:8]([O:9][H:35])([H:36])[C:7]([H:33])([H:34])[C@@:6]([N:5]2:[C:4]([H:31]):[C:3]([H:30]):[C:2]([N:1]([H:41])[H:42]):[N:16]:[C:14]:2=[O:15])([H:32])[O:13]1)([H:38])[H:39].[O:17]=[P:18]([O:19][H:43])([O:20][H:44])[O:21][P:22](=[O:23])([O:24][H:45])[O:25][P:26](=[O:27])([O:28][H:46])[O:29][H:47]>>[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[N:5]([C@@:6]2([H:32])[C:7]([H:33])([H:34])[C@@:8]([O:9][H:35])([H:36])[C@:10]([C:11]([O:12][P:18](=[O:17])([O:19][H:43])[O:20][H:44])([H:38])[H:39])([H:40])[O:13]2):[C:14](=[O:15]):[N:16]:1)([H:41])[H:42].[H][O:21][P:22](=[O:23])([O:24][H:45])[O:25][P:26](=[O:27])([O:28][H:46])[O:29][H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E79 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:79]-[#8:82]-[#15:83](=[#8:84])(-[#8:85])-[#8:86].[#6:53]-[#8:55]-[H]>>[#15:79]-[#8:82]-[H].[#6:53]-[#8:55]-[#15:83](=[#8:84])(-[#8:85])-[#8:86]

EVODEX.1-C1078 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:12].[#6@:8]).[#15:18]-[#8:21]>>([#8:12]-[#15:18].[#6@@:8]).[H]-[#8:21]

EVODEX.1-N1653 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:12]-[#6:11]-[#6@:10]-[#6@:8](-[#8:9])(-[H:36])-[#6:7].[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#6:7]-[#6@@:8](-[#8:9])(-[H:36])-[#6@:10]-[#6:11]-[#8:12]-[#15:18](=[#8:17])(-[#8:19])-[#8:20].[H]-[#8:21]-[#15:22]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4128

Full Reaction Rendering

[H][O:12][C:11]([C@:10]1([H:40])[C@:8]([O:9][H:35])([H:36])[C:7]([H:33])([H:34])[C@@:6]([N:5]2:[C:4]([H:31]):[C:3]([H:30]):[C:2]([N:1]([H:41])[H:42]):[N:16]:[C:14]:2=[O:15])([H:32])[O:13]1)([H:38])[H:39].[O:17]=[P:18]([O:19][H:43])([O:20][H:44])[O:21][P:22](=[O:23])([O:24][H:45])[O:25][P:26](=[O:27])([O:28][H:46])[O:29][H:47]>>[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[N:5]([C@@:6]2([H:32])[C:7]([H:33])([H:34])[C@@:8]([O:9][H:35])([H:36])[C@:10]([C:11]([O:12][P:18](=[O:17])([O:19][H:43])[O:20][H:44])([H:38])[H:39])([H:40])[O:13]2):[C:14](=[O:15]):[N:16]:1)([H:41])[H:42].[H][O:21][P:22](=[O:23])([O:24][H:45])[O:25][P:26](=[O:27])([O:28][H:46])[O:29][H:47]