EVODEX.1-P5960

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[Cl:28])[H:42].[H][O:29][H:43]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:29][H:43])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[Cl:28])[H:42].[H][O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E73 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:42](-[H:66])-[H]>>[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:42]-[H:66].[#8:37](-[#15:38])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N883 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:17]-[#15:18].[H]-[#8:56]-[H:85]>>[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:56]-[H:85].[H]-[#8:17]-[#15:18]

EVODEX.1-Em123 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

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-Nm157 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R6606

Full Reaction Rendering

[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[Cl:28])[H:42].[H][O:29][H:43]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:29][H:43])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[Cl:28])[H:42].[H][O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39]