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EVODEX.1-P1731

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:59]([C@@:58]([C:57]([C:56]1:[N:55]:[C:54]([H:102]):[N:53]([C:52]([H:110])([H:111])[H:112]):[C:63]:1[H:109])([H:107])[H:108])([C:60](=[O:61])[O:62][H:105])[H:106])[H:103]>>[H]C([H])([H])C(=O)[N:59]([C@@:58]([C:57]([C:56]1:[N:55]:[C:54]([H:102]):[N:53]([C:52]([H:110])([H:111])[H:112]):[C:63]:1[H:109])([H:107])[H:108])([C:60](=[O:61])[O:62][H:105])[H:106])[H:103]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E559 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#6@@:10](-[#7:11](-[H:19])-[H])(-[#6:12])-[H:22]>>[#6](-[#6](=[#8])-[#7:11](-[#6@:10](-[#6:9])(-[#6:12])-[H:22])-[H:19])(-[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-R2310

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:64])([C:17]([C:18]([H:65])([H:66])[H:67])([C:19]([H:68])([H:69])[H:70])[C:20]([O:21][P:22](=[O:23])([O:24][H:71])[O:25][P:26](=[O:27])([O:28][H:72])[O:29][C:30]([C@@:31]1([H:73])[O:32][C@:33]([N:34]2:[C:35]([H:74]):[N:36]:[C:37]3:[C:38]([N:39]([H:75])[H:76]):[N:40]:[C:41]([H:77]):[N:42]:[C:43]:2:3)([H:78])[C@@:44]([O:45][H:79])([H:80])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:81])[O:51][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:101].[H][N:59]([C@@:58]([C:57]([C:56]1:[N:55]:[C:54]([H:102]):[N:53]([C:52]([H:110])([H:111])[H:112]):[C:63]:1[H:109])([H:107])[H:108])([C:60](=[O:61])[O:62][H:105])[H:106])[H:103]>>[C:1]([C:2](=[O:3])[N:59]([C@@:58]([C:57]([C:56]1:[N:55]:[C:54]([H:102]):[N:53]([C:52]([H:110])([H:111])[H:112]):[C:63]:1[H:109])([H:107])[H:108])([C:60](=[O:61])[O:62][H:105])[H:106])[H:103])([H:99])([H:100])[H:101].[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:64])([C:17]([C:18]([H:65])([H:66])[H:67])([C:19]([H:68])([H:69])[H:70])[C:20]([O:21][P:22](=[O:23])([O:24][H:71])[O:25][P:26](=[O:27])([O:28][H:72])[O:29][C:30]([C@@:31]1([H:73])[O:32][C@:33]([N:34]2:[C:35]([H:74]):[N:36]:[C:37]3:[C:38]([N:39]([H:75])[H:76]):[N:40]:[C:41]([H:77]):[N:42]:[C:43]:2:3)([H:78])[C@@:44]([O:45][H:79])([H:80])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:81])[O:51][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]