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EVODEX.1-P4222

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E387 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:3]-[#8:5]-[#6:6](-[#6@:7](-[#8:8])(-[#6:9])-[H:28])(-[H:29])-[H:30]>>[#15:3]-[#8:5]-[H].[#8](-[#6:6](-[#6:7](-[#8:8])(-[#6:9])-[H:28])(-[H:29])-[H:30])-[H]

EVODEX.1-C172 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:22]-[#6@@:21]-[#6@@:11]>>[H]-[#8]-[#6@@:21]-[#6@:11].[H]-[#8:22]

EVODEX.1-N661 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6@:20](-[#6:21](-[#8:22]-[#15:23])(-[H:66])-[H:67])(-[#8:33])-[H:99]>>[H]-[#8]-[#6:21](-[#6:20](-[#6:19])(-[#8:33])-[H:99])(-[H:66])-[H:67].[H]-[#8:22]-[#15:23]

EVODEX.1-Em120 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:4]-[#8:6]-[#6:7]-[#6:8]>>[H]-[#8]-[#6:7]-[#6:8].[H]-[#8:6]-[#15:4]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm154 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:4]-[#8:6]-[#6:7]-[#6:8]>>[H]-[#8]-[#6:7]-[#6:8].[H]-[#8:6]-[#15:4]

Source Full Reactions

EVODEX.1-R5071

Full Reaction Rendering

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