EVODEX Logo

EVODEX.1-P1772

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([S:57](=[O:58])(=[O:59])[C:60]2:[C:61]([H:109]):[C:62]([H:110]):[C:63]([N:64]([H:111])[H:112]):[C:65]([H:113]):[C:66]:2[H:114]):[C:67]([H:115]):[C:68]:1[H:116])[H:117]>>[H]C([H])([H])C(=O)[N:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([S:57](=[O:58])(=[O:59])[C:60]2:[C:61]([H:109]):[C:62]([H:110]):[C:63]([N:64]([H:111])[H:112]):[C:65]([H:113]):[C:66]:2[H:114]):[C:67]([H:115]):[C:68]:1[H:116])[H:117]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E555 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5](-[#6:6])(-[H:24])-[H]>>[#6](-[#6](=[#8])-[#7:5](-[#6:6])-[H:24])(-[H])(-[H])-[H]

EVODEX.1-C63 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:5]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5]

EVODEX.1-N50 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:5](-[#6:6])-[H:24]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[H:24]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R2420

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:69])([C:17]([C:18]([H:70])([H:71])[H:72])([C:19]([H:73])([H:74])[H:75])[C:20]([O:21][P:22](=[O:23])([O:24][H:76])[O:25][P:26](=[O:27])([O:28][H:77])[O:29][C:30]([C@@:31]1([H:78])[O:32][C@:33]([N:34]2:[C:35]([H:79]):[N:36]:[C:37]3:[C:38]([N:39]([H:80])[H:81]):[N:40]:[C:41]([H:82]):[N:42]:[C:43]:2:3)([H:83])[C@@:44]([O:45][H:84])([H:85])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:86])[O:51][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:101])([H:102])[H:103])([H:104])([H:105])[H:106].[H][N:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([S:57](=[O:58])(=[O:59])[C:60]2:[C:61]([H:109]):[C:62]([H:110]):[C:63]([N:64]([H:111])[H:112]):[C:65]([H:113]):[C:66]:2[H:114]):[C:67]([H:115]):[C:68]:1[H:116])[H:117]>>[C:1]([C:2](=[O:3])[N:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([S:57](=[O:58])(=[O:59])[C:60]2:[C:61]([H:109]):[C:62]([H:110]):[C:63]([N:64]([H:111])[H:112]):[C:65]([H:113]):[C:66]:2[H:114]):[C:67]([H:115]):[C:68]:1[H:116])[H:117])([H:104])([H:105])[H:106].[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:69])([C:17]([C:18]([H:70])([H:71])[H:72])([C:19]([H:73])([H:74])[H:75])[C:20]([O:21][P:22](=[O:23])([O:24][H:76])[O:25][P:26](=[O:27])([O:28][H:77])[O:29][C:30]([C@@:31]1([H:78])[O:32][C@:33]([N:34]2:[C:35]([H:79]):[N:36]:[C:37]3:[C:38]([N:39]([H:80])[H:81]):[N:40]:[C:41]([H:82]):[N:42]:[C:43]:2:3)([H:83])[C@@:44]([O:45][H:84])([H:85])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:86])[O:51][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:101])([H:102])[H:103]