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EVODEX.1-P2470

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])[H:49]>>[H]OC([H])([H])[C@@]1([H])OC([H])([N:1]([C:2]2:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:2[H:48])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O5
C6
H10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E527 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#7:13](-[H:51])-[H]>>[#6:12]-[#7:13](-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H:51]

EVODEX.1-C387 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#7:1])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N463 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:52]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#7:1](-[#6:2])-[H:52])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em501 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#6](-[H])(-[#7:1]-[#6:2])-[#6]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm452 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#6](-[H])(-[#7:1]-[#6:2])-[#6]

Source Full Reactions

EVODEX.1-R3220

Full Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])[H:49].[O:9]=[C:10]1:[C:11]([H:51]):[C:12]([H:52]):[N:13]([C@:14]2([H:53])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C@@:27]3([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]3([O:37][H:65])[H:66])([H:67])[H:68])([H:69])[C@:38]([O:39][H:70])([H:71])[C@:40]2([O:41][H:72])[H:73]):[C:42](=[O:43]):[N:44]:1[H:74]>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])([C:27]1([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][H:65])[H:66])[H:49].[H][O:26][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:69])[O:15][C@:14]([N:13]2:[C:12]([H:52]):[C:11]([H:51]):[C:10](=[O:9]):[N:44]([H:74]):[C:42]:2=[O:43])([H:53])[C@@:40]([O:41][H:72])([H:73])[C@@:38]1([O:39][H:70])[H:71])([H:67])[H:68])(=[O:20])[O:21][H:54])(=[O:24])[O:25][H:55]