EVODEX Logo

EVODEX.1-P1845

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:52][C:53]1([H:97])[C:54]([H:98])([H:99])[C:55]([H:100])([H:101])[C:56]([H:102])([H:103])[C:57]([H:104])([H:105])[C:58]1([H:106])[H:107]>>[H]C([H])([H])C(=O)[O:52][C:53]1([H:97])[C:54]([H:98])([H:99])[C:55]([H:100])([H:101])[C:56]([H:102])([H:103])[C:57]([H:104])([H:105])[C:58]1([H:106])[H:107]

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-R2542

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:59])([C:17]([C:18]([H:60])([H:61])[H:62])([C:19]([H:63])([H:64])[H:65])[C:20]([O:21][P:22](=[O:23])([O:24][H:66])[O:25][P:26](=[O:27])([O:28][H:67])[O:29][C:30]([C@@:31]1([H:68])[O:32][C@:33]([N:34]2:[C:35]([H:69]):[N:36]:[C:37]3:[C:38]([N:39]([H:70])[H:71]):[N:40]:[C:41]([H:72]):[N:42]:[C:43]:2:3)([H:73])[C@@:44]([O:45][H:74])([H:75])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:76])[O:51][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][O:52][C:53]1([H:97])[C:54]([H:98])([H:99])[C:55]([H:100])([H:101])[C:56]([H:102])([H:103])[C:57]([H:104])([H:105])[C:58]1([H:106])[H:107]>>[C:1]([C:2](=[O:3])[O:52][C:53]1([H:97])[C:54]([H:98])([H:99])[C:55]([H:100])([H:101])[C:56]([H:102])([H:103])[C:57]([H:104])([H:105])[C:58]1([H:106])[H:107])([H:94])([H:95])[H:96].[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:59])([C:17]([C:18]([H:60])([H:61])[H:62])([C:19]([H:63])([H:64])[H:65])[C:20]([O:21][P:22](=[O:23])([O:24][H:66])[O:25][P:26](=[O:27])([O:28][H:67])[O:29][C:30]([C@@:31]1([H:68])[O:32][C@:33]([N:34]2:[C:35]([H:69]):[N:36]:[C:37]3:[C:38]([N:39]([H:70])[H:71]):[N:40]:[C:41]([H:72]):[N:42]:[C:43]:2:3)([H:73])[C@@:44]([O:45][H:74])([H:75])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:76])[O:51][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]