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EVODEX.1-P1771

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:63]([C:62]([C:61]([C:60]1:[C:59]([H:107]):[N:58]([H:106]):[C:57]2:[C:56]([H:105]):[C:55]([H:104]):[C:54]([O:53][C:52]([H:115])([H:116])[H:117]):[C:65]([H:114]):[C:64]:2:1)([H:112])[H:113])([H:110])[H:111])[H:108]>>[H]C([H])([H])C(=O)[N:63]([C:62]([C:61]([C:60]1:[C:59]([H:107]):[N:58]([H:106]):[C:57]2:[C:56]([H:105]):[C:55]([H:104]):[C:54]([O:53][C:52]([H:115])([H:116])[H:117]):[C:65]([H:114]):[C:64]:2:1)([H:112])[H:113])([H:110])[H:111])[H:108]

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-R2400

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