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EVODEX.1-P992

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F169 - Elemental Balance

N1
H3

EVODEX.1-M47 - Mass Difference

17.02659

EVODEX.1-E838 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H])-[H].[#8:9]=[#8:10].[#8:6](-[H])-[H]

EVODEX.1-C106 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]=[#8:8].[H]-[#8:11]-[#8:12]-[H]>>[H]-[#7](-[H])-[#6:7]-[H].[#8:11]=[#8:12].[H]-[#8:8]-[H]

EVODEX.1-N240 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Em362 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Cm131 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]=[#8:8].[H]-[#8:11]-[#8:12]-[H]>>[#7]-[#6:7]-[H].[#8:11]=[#8:12].[H]-[#8:8]-[H]

EVODEX.1-Nm322 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R965

Full Reaction Rendering

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