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EVODEX.1-P2074

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:56][C:55]([C:54]([H:102])([H:103])[H:104])([H:100])[H:101]>>[H]C([H])([H])C([H])([H])C([H])([H])C(=O)[O:56][C:55]([C:54]([H:102])([H:103])[H:104])([H:100])[H:101]

Derived Operators

EVODEX.1-F82 - Elemental Balance

O1
C4
H6

EVODEX.1-M223 - Mass Difference

70.04188

EVODEX.1-E650 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9](-[#6:10])-[H]>>[#6](=[#8])(-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[#8:9]-[#6:10]

EVODEX.1-C304 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:9]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:9]

EVODEX.1-N350 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:9]-[#6:10]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:9]-[#6:10]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R4709

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:10])([H:11])[H:12])([H:13])[H:14])([H:15])([H:16])[H:17].[H][O:9][C:8]([C:7]([H:21])([H:22])[H:23])([H:19])[H:20]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:9][C:8]([C:7]([H:21])([H:22])[H:23])([H:19])[H:20])([H:11])[H:12])([H:13])[H:14])([H:15])([H:16])[H:17].[H][O:6][H:10]

EVODEX.1-R2787

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:57])([C:19]([C:20]([H:58])([H:59])[H:60])([C:21]([H:61])([H:62])[H:63])[C:22]([O:23][P:24](=[O:25])([O:26][H:64])[O:27][P:28](=[O:29])([O:30][H:65])[O:31][C:32]([C@@:33]1([H:66])[O:34][C@:35]([N:36]2:[C:37]([H:67]):[N:38]:[C:39]3:[C:40]([N:41]([H:68])[H:69]):[N:42]:[C:43]([H:70]):[N:44]:[C:45]:2:3)([H:71])[C@@:46]([O:47][H:72])([H:73])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:74])[O:53][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])([H:97])[H:98].[H][O:56][C:55]([C:54]([H:102])([H:103])[H:104])([H:100])[H:101]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:56][C:55]([C:54]([H:102])([H:103])[H:104])([H:100])[H:101])([H:92])[H:93])([H:94])[H:95])([H:96])([H:97])[H:98].[H][S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:57])([C:19]([C:20]([H:58])([H:59])[H:60])([C:21]([H:61])([H:62])[H:63])[C:22]([O:23][P:24](=[O:25])([O:26][H:64])[O:27][P:28](=[O:29])([O:30][H:65])[O:31][C:32]([C@@:33]1([H:66])[O:34][C@:35]([N:36]2:[C:37]([H:67]):[N:38]:[C:39]3:[C:40]([N:41]([H:68])[H:69]):[N:42]:[C:43]([H:70]):[N:44]:[C:45]:2:3)([H:71])[C@@:46]([O:47][H:72])([H:73])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:74])[O:53][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91]