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EVODEX.1-P2261

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]([C:3]([C:4]1:[C:5]([H:50]):[N:6]([H:51]):[C:7]2:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1:2)([H:56])[H:57])[O:13][C@:14]1([H:58])[O:15][C@@:16]([C:17]([O:18][H:59])([H:60])[H:61])([H:62])[C@:19]([O:20][H:63])([H:64])[C@@:21]([O:22][H:65])([H:66])[C@:23]1([O:24][H:67])[H:68]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:14]1([H:58])[O:15][C@@:16]([C:17]([O:18][H:59])([H:60])[H:61])([H:62])[C@:19]([O:20][H:63])([H:64])[C@@:21]([O:22][H:65])([H:66])[C@:23]1([O:24][H:67])[H:68].[H][O:13][C:2](=[O:1])[C:3]([C:4]1:[C:5]([H:50]):[N:6]([H:51]):[C:7]2:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1:2)([H:56])[H:57]

Derived Operators

EVODEX.1-F397 - Elemental Balance

P2
O12
C9
N2
H14

EVODEX.1-M393 - Mass Difference

404.00222

EVODEX.1-E1202 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:35](-[#6@:34])-[#6:36](-[H:94])(-[#8:37])-[#6@:45]>>[#8](-[#6@@:36](-[H:94])(-[#8:37])-[#6@:45])-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H].[#8:35](-[#6@:34])-[H]

EVODEX.1-C869 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:18]-[#6@:19]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:18]

EVODEX.1-N1091 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#8:18]-[#6@:19](-[H:66])(-[#8:20])-[#6@:28]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:66])(-[#8:20])-[#6@:28].[H]-[#8:18]-[#6:17]

EVODEX.1-Em61 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm73 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]

Source Full Reactions

EVODEX.1-R2990

Full Reaction Rendering

[O:1]=[C:2]([C:3]([C:4]1:[C:5]([H:50]):[N:6]([H:51]):[C:7]2:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1:2)([H:56])[H:57])[O:13][C@:14]1([H:58])[O:15][C@@:16]([C:17]([O:18][H:59])([H:60])[H:61])([H:62])[C@:19]([O:20][H:63])([H:64])[C@@:21]([O:22][H:65])([H:66])[C@:23]1([O:24][H:67])[H:68].[H][O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:77])[O:31][C@:30]([N:29]2:[C:28]([H:70]):[C:27]([H:69]):[C:26](=[O:25]):[N:49]([H:82]):[C:47]:2=[O:48])([H:71])[C@@:45]([O:46][H:80])([H:81])[C@@:43]1([O:44][H:78])[H:79])([H:75])[H:76])(=[O:36])[O:37][H:72])(=[O:40])[O:42][H:74]>>[C@:14]1([O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]2([H:77])[O:31][C@:30]([N:29]3:[C:28]([H:70]):[C:27]([H:69]):[C:26](=[O:25]):[N:49]([H:82]):[C:47]:3=[O:48])([H:71])[C@@:45]([O:46][H:80])([H:81])[C@@:43]2([O:44][H:78])[H:79])([H:75])[H:76])(=[O:36])[O:37][H:72])(=[O:40])[O:42][H:74])([H:58])[O:15][C@@:16]([C:17]([O:18][H:59])([H:60])[H:61])([H:62])[C@:19]([O:20][H:63])([H:64])[C@@:21]([O:22][H:65])([H:66])[C@:23]1([O:24][H:67])[H:68].[H][O:13][C:2](=[O:1])[C:3]([C:4]1:[C:5]([H:50]):[N:6]([H:51]):[C:7]2:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1:2)([H:56])[H:57]