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EVODEX.1-P6115

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F238 - Elemental Balance

Cl-1
H-1

EVODEX.1-M137 - Mass Difference

-35.976729999999996

EVODEX.1-E961 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[#17])(-[H:17])-[H:18].[#8:16](-[H:46])-[H]>>[#6:13]-[#6:14](-[#8:16]-[H:46])(-[H:17])-[H:18]

EVODEX.1-C140 - Reaction Operator C

Reaction Operator C SMIRKS

[#17]-[#6:12].[H]-[#8:14]>>[#6:12]-[#8:14]

EVODEX.1-N904 - Reaction Operator N

Reaction Operator N SMIRKS

[#17]-[#6:12](-[#6:11])(-[H:15])-[H:16].[H]-[#8:14]-[H:40]>>[#6:11]-[#6:12](-[#8:14]-[H:40])(-[H:15])-[H:16]

EVODEX.1-Em712 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#17]-[#6:12]-[#6:11].[H]-[#8:14]>>[#6:11]-[#6:12]-[#8:14]

EVODEX.1-Cm159 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#17]-[#6:12].[H]-[#8:14]>>[#6:12]-[#8:14]

EVODEX.1-Nm641 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#17]-[#6:12]-[#6:11].[H]-[#8:14]>>[#6:11]-[#6:12]-[#8:14]

Source Full Reactions

EVODEX.1-R6724

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([Cl:13])([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:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:14][H:40]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:14][H:40])([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:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][Cl:13]