EVODEX Logo

EVODEX.1-P5154

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:25]([C@@:26]([C:27]([C:28]([C:29]([N:30]([C:31](=[N:32][H:58])[N:33]([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:34](=[O:35])[O:36][H:68])[H:69])[H:70])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:25]([C@@:26]([C:27]([C:28]([C:29]([N:30]([C:31](=[N:32][H:58])[N:33]([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:34](=[O:35])[O:36][H:68])[H:69])[H:70]

Derived Operators

EVODEX.1-F525 - Elemental Balance

O-4
C-19
N-4
H-34

EVODEX.1-M497 - Mass Difference

-382.25822

EVODEX.1-E1344 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:32](-[#6@:21])(-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H:119]>>[#7:32](-[#6@:21])(-[H:119])-[H]

EVODEX.1-C646 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N801 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:24](-[#6@:21])-[H:106])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24](-[#6@:21])-[H:106]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5920

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:44])[H:45])([H:46])[H:47])[H:48])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([H:49])([H:50])[H:51])([C:18]([H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([C:19](=[O:20])[N:21]([C@:22]([C:23](=[O:24])[N:25]([C@@:26]([C:27]([C:28]([C:29]([N:30]([C:31](=[N:32][H:58])[N:33]([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:34](=[O:35])[O:36][H:68])[H:69])[H:70])([C:37]([C:38]([H:71])([H:72])[H:73])([C:39]([H:74])([H:75])[H:76])[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][O:40][H:89]>>[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:44])[H:45])([H:46])[H:47])[H:48])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([H:49])([H:50])[H:51])([C:18]([H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([C:19](=[O:20])[N:21]([C@:22]([C:23](=[O:24])[O:40][H:89])([C:37]([C:38]([H:71])([H:72])[H:73])([C:39]([H:74])([H:75])[H:76])[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][N:25]([C@@:26]([C:27]([C:28]([C:29]([N:30]([C:31](=[N:32][H:58])[N:33]([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:34](=[O:35])[O:36][H:68])[H:69])[H:70]