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EVODEX.1-P1307

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:12][C:11]1:[C:10]([H:52]):[C:9]([H:51]):[C:8]([C:7]2:[O:6]:[C:5]3:[C:4]([H:50]):[C:3]([O:2][C:1]([H:59])([H:60])[H:61]):[C:21]([O:22][H:58]):[C:19]([O:20][H:57]):[C:18]:3:[C:16](=[O:17]):[C:15]:2[H:56]):[C:14]([H:55]):[C:13]:1[H:54].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:23]([H:82])([H:83])[H:84]>>[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]2:[O:6]:[C:7]([C:8]3:[C:9]([H:51]):[C:10]([H:52]):[C:11]([O:12][C:23]([H:82])([H:83])[H:84]):[C:13]([H:54]):[C:14]:3[H:55]):[C:15]([H:56]):[C:16](=[O:17]):[C:18]:2:[C:19]([O:20][H:57]):[C:21]:1[O:22][H:58])([H:59])([H:60])[H:61]

Derived Operators

EVODEX.1-F289 - Elemental Balance

O-5
C-14
S-1
N-6
H-21

EVODEX.1-M38 - Mass Difference

-385.12963

EVODEX.1-E1050 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:21]-[#8:22]-[H].[#6:27](-[#16](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(-[H:98])(-[H:99])-[H:100]>>[#6:21]-[#8:22]-[#6:27](-[H:98])(-[H:99])-[H:100]

EVODEX.1-C254 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:12].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:23]>>[#8:12]-[#6:23]

EVODEX.1-N270 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:12]-[#6:11].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:23](-[H:82])(-[H:83])-[H:84]>>[#6:11]-[#8:12]-[#6:23](-[H:82])(-[H:83])-[H:84]

EVODEX.1-Em392 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:12]-[#6:11].[#6]-[#16](-[#6])-[#6:23]>>[#6:11]-[#8:12]-[#6:23]

EVODEX.1-Cm33 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16]-[#6:49].[H]-[#8:61]>>[#6:49]-[#8:61]

EVODEX.1-Nm352 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:12]-[#6:11].[#6]-[#16](-[#6])-[#6:23]>>[#6:11]-[#8:12]-[#6:23]

Source Full Reactions

EVODEX.1-R1754

Full Reaction Rendering

[H][O:12][C:11]1:[C:10]([H:52]):[C:9]([H:51]):[C:8]([C:7]2:[O:6]:[C:5]3:[C:4]([H:50]):[C:3]([O:2][C:1]([H:59])([H:60])[H:61]):[C:21]([O:22][H:58]):[C:19]([O:20][H:57]):[C:18]:3:[C:16](=[O:17]):[C:15]:2[H:56]):[C:14]([H:55]):[C:13]:1[H:54].[C:23]([S+:24]([C:25]([C:26]([C@:27]([N:28]([H:62])[H:63])([C:29](=[O:30])[O:31][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[C:32]([C@@:33]1([H:70])[O:34][C@:35]([N:36]2:[C:37]([H:71]):[N:38]:[C:39]3:[C:40]([N:41]([H:72])[H:73]):[N:42]:[C:43]([H:74]):[N:44]:[C:45]:2:3)([H:75])[C@@:46]([O:47][H:76])([H:77])[C@@:48]1([O:49][H:78])[H:79])([H:80])[H:81])([H:82])([H:83])[H:84]>>[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]2:[O:6]:[C:7]([C:8]3:[C:9]([H:51]):[C:10]([H:52]):[C:11]([O:12][C:23]([H:82])([H:83])[H:84]):[C:13]([H:54]):[C:14]:3[H:55]):[C:15]([H:56]):[C:16](=[O:17]):[C:18]:2:[C:19]([O:20][H:57]):[C:21]:1[O:22][H:58])([H:59])([H:60])[H:61].[HH].[S:24]([C:25]([C:26]([C@:27]([N:28]([H:62])[H:63])([C:29](=[O:30])[O:31][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[C:32]([C@@:33]1([H:70])[O:34][C@:35]([N:36]2:[C:37]([H:71]):[N:38]:[C:39]3:[C:40]([N:41]([H:72])[H:73]):[N:42]:[C:43]([H:74]):[N:44]:[C:45]:2:3)([H:75])[C@@:46]([O:47][H:76])([H:77])[C@@:48]1([O:49][H:78])[H:79])([H:80])[H:81]