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EVODEX.1-P1844

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:61][C@:60]1([H:113])[C@@:58]2([C:59]([H:109])([H:110])[H:111])[C:53]([C:52]([H:116])([H:117])[H:118])([C:54]([H:101])([H:102])[H:103])[C@:55]([H:104])([C:56]([H:105])([H:106])[C:57]2([H:107])[H:108])[C:62]1([H:114])[H:115]>>[H]C([H])([H])C(=O)[O:61][C@:60]1([H:113])[C@@:58]2([C:59]([H:109])([H:110])[H:111])[C:53]([C:52]([H:116])([H:117])[H:118])([C:54]([H:101])([H:102])[H:103])[C@:55]([H:104])([C:56]([H:105])([H:106])[C:57]2([H:107])[H:108])[C:62]1([H:114])[H:115]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E556 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#8:14]-[H]>>[#6](-[#6](=[#8])-[#8:14]-[#6:13])(-[H])(-[H])-[H]

EVODEX.1-C75 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:67]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:67]

EVODEX.1-N19 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:67]-[#6:66]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:67]-[#6:66]

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-R2541

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:63])([C:17]([C:18]([H:64])([H:65])[H:66])([C:19]([H:67])([H:68])[H:69])[C:20]([O:21][P:22](=[O:23])([O:24][H:70])[O:25][P:26](=[O:27])([O:28][H:71])[O:29][C:30]([C@@:31]1([H:72])[O:32][C@:33]([N:34]2:[C:35]([H:73]):[N:36]:[C:37]3:[C:38]([N:39]([H:74])[H:75]):[N:40]:[C:41]([H:76]):[N:42]:[C:43]:2:3)([H:77])[C@@:44]([O:45][H:78])([H:79])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:80])[O:51][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:99])[H:100].[H][O:61][C@:60]1([H:113])[C@@:58]2([C:59]([H:109])([H:110])[H:111])[C:53]([C:52]([H:116])([H:117])[H:118])([C:54]([H:101])([H:102])[H:103])[C@:55]([H:104])([C:56]([H:105])([H:106])[C:57]2([H:107])[H:108])[C:62]1([H:114])[H:115]>>[C:1]([C:2](=[O:3])[O:61][C@:60]1([H:113])[C@@:58]2([C:59]([H:109])([H:110])[H:111])[C:53]([C:52]([H:116])([H:117])[H:118])([C:54]([H:101])([H:102])[H:103])[C@:55]([H:104])([C:56]([H:105])([H:106])[C:57]2([H:107])[H:108])[C:62]1([H:114])[H:115])([H:98])([H:99])[H:100].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:63])([C:17]([C:18]([H:64])([H:65])[H:66])([C:19]([H:67])([H:68])[H:69])[C:20]([O:21][P:22](=[O:23])([O:24][H:70])[O:25][P:26](=[O:27])([O:28][H:71])[O:29][C:30]([C@@:31]1([H:72])[O:32][C@:33]([N:34]2:[C:35]([H:73]):[N:36]:[C:37]3:[C:38]([N:39]([H:74])[H:75]):[N:40]:[C:41]([H:76]):[N:42]:[C:43]:2:3)([H:77])[C@@:44]([O:45][H:78])([H:79])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:80])[O:51][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]