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EVODEX.1-P5904

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]#[N:10])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26].[H][O:12][H:29].[H][O:13][H]>>[H]O[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2](=O)[O:12][H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])=[O:13].[H][N:10]([H])[H].[H][N:1]([H])[H]

Derived Operators

EVODEX.1-F180 - Elemental Balance

O2
H4

EVODEX.1-M21 - Mass Difference

36.021119999999996

EVODEX.1-E870 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:1]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7:9]).[#8:12](-[H:21])-[H].[#8:13](-[H])-[H]>>([#6:2](-[#6:3])(=[#8])-[#8:12]-[H:21].[#6:7]-[#6:8](=[#8:13])-[#8]-[H]).[#7:1](-[H])(-[H])-[H].[#7:9](-[H])(-[H])-[H]

EVODEX.1-C709 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:1]#[#6:2].[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2]=[#8:12].[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]

EVODEX.1-N874 - Reaction Operator N

Reaction Operator N SMIRKS

([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11]-[H:21].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]-[H:21]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]

EVODEX.1-Em686 - Reaction Operator Em

Reaction Operator Em SMIRKS

([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]

EVODEX.1-Cm277 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#7:1]#[#6:2].[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([#8]-[#6:2]=[#8:12].[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]

EVODEX.1-Nm618 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]

Source Full Reactions

EVODEX.1-R6574

Full Reaction Rendering

[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]#[N:10])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26].[H][O:11][H].[H][O:12][H:29].[H][O:13][H].[H][O:14][H:33]>>[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[O:13])[O:14][H:33])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])(=[O:11])[O:12][H:29].[H][N:10]([H])[H].[H][N:1]([H])[H]