EVODEX.1-P2365

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E112 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:2]-[#8:3]-[H].[#6:12]-[#8:13]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23]>>[#15:2]-[#8:3]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23].[#6:12]-[#8:13]-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N1562 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:5](-[#6@@:4](-[#6@:2])(-[#6@@:17])-[H:45])-[#6@:6](-[H:29])(-[#8:7])-[#6@:15].[H]-[#8:25]-[#15:24]>>[#8:25](-[#6@@:6](-[H:29])(-[#8:7])-[#6@:15])-[#15:24].[H]-[#8:5]-[#6@@:4](-[#6@:2])(-[#6@@:17])-[H:45]

EVODEX.1-Em60 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm72 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

Source Full Reactions

EVODEX.1-R3093

Full Reaction Rendering

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