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EVODEX.1-P2355

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1:[C:3]([O:4][C@:5]2([H:58])[O:6][C@@:7]([C:8]([O:9][H:59])([H:60])[H:61])([H:62])[C@@:10]([O:11][H:63])([H:64])[C@@:12]([O:13][H:65])([H:66])[C@:14]2([O:15][H:67])[H:68]):[C:16]([C:17]2:[C:18]([H:69]):[C:19]([H:70]):[C:20]([O:21][H:71]):[C:22]([O:23][H:72]):[C:24]:2[H:73]):[O:25]:[C:26]2:[C:27]([H:74]):[C:28]([O:29][H:75]):[C:30]([H:76]):[C:31]([H:77]):[C:32]:1:2>>[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@@:5]1([H:58])[O:6][C@@:7]([C:8]([O:9][H:59])([H:60])[H:61])([H:62])[C@@:10]([O:11][H:63])([H:64])[C@@:12]([O:13][H:65])([H:66])[C@:14]1([O:15][H:67])[H:68].[H][O:4][C:3]1:[C:2](=[O:1]):[C:32]2:[C:26](:[O:25]:[C:16]:1[C:17]1:[C:18]([H:69]):[C:19]([H:70]):[C:20]([O:21][H:71]):[C:22]([O:23][H:72]):[C:24]:1[H:73]):[C:27]([H:74]):[C:28]([O:29][H:75]):[C:30]([H:76]):[C:31]:2[H:77]

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-R3081

Full Reaction Rendering

[O:1]=[C:2]1:[C:3]([O:4][C@:5]2([H:58])[O:6][C@@:7]([C:8]([O:9][H:59])([H:60])[H:61])([H:62])[C@@:10]([O:11][H:63])([H:64])[C@@:12]([O:13][H:65])([H:66])[C@:14]2([O:15][H:67])[H:68]):[C:16]([C:17]2:[C:18]([H:69]):[C:19]([H:70]):[C:20]([O:21][H:71]):[C:22]([O:23][H:72]):[C:24]:2[H:73]):[O:25]:[C:26]2:[C:27]([H:74]):[C:28]([O:29][H:75]):[C:30]([H:76]):[C:31]([H:77]):[C:32]:1:2.[H][O:49][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]1([H:86])[O:39][C@:38]([N:37]2:[C:36]([H:79]):[C:35]([H:78]):[C:34](=[O:33]):[N:57]([H:91]):[C:55]:2=[O:56])([H:80])[C@@:53]([O:54][H:89])([H:90])[C@@:51]1([O:52][H:87])[H:88])([H:84])[H:85])(=[O:44])[O:45][H:81])(=[O:48])[O:50][H:83]>>[C@:5]1([O:49][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]2([H:86])[O:39][C@:38]([N:37]3:[C:36]([H:79]):[C:35]([H:78]):[C:34](=[O:33]):[N:57]([H:91]):[C:55]:3=[O:56])([H:80])[C@@:53]([O:54][H:89])([H:90])[C@@:51]2([O:52][H:87])[H:88])([H:84])[H:85])(=[O:44])[O:45][H:81])(=[O:48])[O:50][H:83])([H:58])[O:6][C@@:7]([C:8]([O:9][H:59])([H:60])[H:61])([H:62])[C@@:10]([O:11][H:63])([H:64])[C@@:12]([O:13][H:65])([H:66])[C@:14]1([O:15][H:67])[H:68].[H][O:4][C:3]1:[C:2](=[O:1]):[C:32]2:[C:26](:[O:25]:[C:16]:1[C:17]1:[C:18]([H:69]):[C:19]([H:70]):[C:20]([O:21][H:71]):[C:22]([O:23][H:72]):[C:24]:1[H:73]):[C:27]([H:74]):[C:28]([O:29][H:75]):[C:30]([H:76]):[C:31]:2[H:77]