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EVODEX.1-P7252

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])[H:73]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])([C:21]([C@@:13]([N:12]([H:64])[H:65])([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])[H:73].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:23][H:62]

Derived Operators

EVODEX.1-F112 - Elemental Balance

P2
O9
C10
N5
H13

EVODEX.1-M32 - Mass Difference

409.01899

EVODEX.1-E718 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:51].[#7:6](-[#6@:7])(-[H:84])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6@:7])-[H:84].[#8:5](-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H])-[H:51]

EVODEX.1-C181 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:42]-[#8:44].[H]-[#7:49]>>[#6:42]-[#7:49].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]

EVODEX.1-N95 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].[H]-[#7:49](-[#6@@:48])-[H:116]>>[#6:42](-[#6@:40])(=[#8:43])-[#7:49](-[#6@@:48])-[H:116].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]-[H:108]

EVODEX.1-Em41 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]

EVODEX.1-Cm60 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:42]-[#8:44].[H]-[#7:49]>>[#6:42]-[#7:49].[#15]-[#8:44]

EVODEX.1-Nm46 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]

Source Full Reactions

EVODEX.1-R7779

Full Reaction Rendering

[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])[H:73].[N:24]([C:25]1:[N:26]:[C:27]([H:75]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:76]):[N:33]:2[C@:34]1([H:77])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81])([H:82])[H:83])([H:84])[C@:51]([O:52][H:85])([H:86])[C@:53]1([O:54][H:87])[H:88])([H:89])[H:90]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])([C:21]([C@@:13]([N:12]([H:64])[H:65])([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])[H:73].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:84])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:75]):[N:26]:[C:25]([N:24]([H:89])[H:90]):[C:30]:3:[N:31]:[C:32]:2[H:76])([H:77])[C@@:53]([O:54][H:87])([H:88])[C@@:51]1([O:52][H:85])[H:86])([H:82])[H:83])(=[O:40])[O:41][H:78])(=[O:44])[O:45][H:79])[H:62].[H][O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81]