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EVODEX.1-P5398

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:19]([C@:18]([C:16]([N:15]([C@@:14]([C:13]([C:11]([C:10]([H:70])([H:71])[H:72])([C:12]([H:51])([H:52])[H:53])[H:69])([H:67])[H:68])([C:27](=[O:28])[O:29][H:65])[H:66])[H:64])=[O:17])([C:20]([C:21]1:[C:22]([H:56]):[C:23]([H:57]):[C:24]([H:58]):[C:25]([H:59]):[C:26]:1[H:60])([H:61])[H:62])[H:63])[H:54]>>[H]N([H])C([H])([H])C(=O)[N:19]([C@:18]([C:16]([N:15]([C@@:14]([C:13]([C:11]([C:10]([H:70])([H:71])[H:72])([C:12]([H:51])([H:52])[H:53])[H:69])([H:67])[H:68])([C:27](=[O:28])[O:29][H:65])[H:66])[H:64])=[O:17])([C:20]([C:21]1:[C:22]([H:56]):[C:23]([H:57]):[C:24]([H:58]):[C:25]([H:59]):[C:26]:1[H:60])([H:61])[H:62])[H:63])[H:54]

Derived Operators

EVODEX.1-F224 - Elemental Balance

O1
C2
N1
H3

EVODEX.1-M134 - Mass Difference

57.02149000000001

EVODEX.1-E940 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@:7])(-[H:84])-[H]>>[#7](-[#6](-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84])(-[H])-[H])(-[H])-[H]

EVODEX.1-C369 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N428 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@:7])-[H:84]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84]

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-R6149

Full Reaction Rendering

[H][N:19]([C@:18]([C:16]([N:15]([C@@:14]([C:13]([C:11]([C:10]([H:70])([H:71])[H:72])([C:12]([H:51])([H:52])[H:53])[H:69])([H:67])[H:68])([C:27](=[O:28])[O:29][H:65])[H:66])[H:64])=[O:17])([C:20]([C:21]1:[C:22]([H:56]):[C:23]([H:57]):[C:24]([H:58]):[C:25]([H:59]):[C:26]:1[H:60])([H:61])[H:62])[H:63])[H:54].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:83])([H:84])[H:85])([C:3]([H:73])([H:74])[H:75])[H:82])([H:80])[H:81])([C:7](=[O:8])[O:9][H:78])[H:79])[H:76].[N:30]([C:31]([C:32](=[O:33])[N:34]([C@@:35]([C:36]([C:37]1:[C:38]([H:86]):[C:39]([H:87]):[C:40]([H:88]):[C:41]([H:89]):[C:42]:1[H:90])([H:91])[H:92])([C:43](=[O:44])[O:45][H:93])[H:94])[H:95])([H:96])[H:97])([H:98])[H:99].[N:46]([C:47]([C:48](=[O:49])[O:50][H:100])([H:101])[H:102])([H:103])[H:104]>>[C:10]([C:11]([C:12]([H:51])([H:52])[H:53])([C:13]([C@:14]([N:15]([C:16](=[O:17])[C@@:18]([N:19]([C:48]([C:47]([N:46]([H:103])[H:104])([H:101])[H:102])=[O:49])[H:54])([C:20]([C:21]1:[C:22]([H:56]):[C:23]([H:57]):[C:24]([H:58]):[C:25]([H:59]):[C:26]:1[H:60])([H:61])[H:62])[H:63])[H:64])([C:27](=[O:28])[O:29][H:65])[H:66])([H:67])[H:68])[H:69])([H:70])([H:71])[H:72].[C:1]([C:2]([C:3]([H:73])([H:74])[H:75])([C:4]([C@:5]([N:6]([C:43]([C@@:35]([N:34]([C:32]([C:31]([N:30]([H:98])[H:99])([H:96])[H:97])=[O:33])[H:95])([C:36]([C:37]1:[C:38]([H:86]):[C:39]([H:87]):[C:40]([H:88]):[C:41]([H:89]):[C:42]:1[H:90])([H:91])[H:92])[H:94])=[O:44])[H:76])([C:7](=[O:8])[O:9][H:78])[H:79])([H:80])[H:81])[H:82])([H:83])([H:84])[H:85].[H][O:45][H:93].[H][O:50][H:100]

EVODEX.1-R6150

Full Reaction Rendering

[H][N:10]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:26])([H:27])[H:28])[H:44])([H:42])[H:43])([C:18](=[O:19])[O:20][H:40])[H:41])[H:39])=[O:8])([C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])[H:29].[N:21]([C:22]([C:23](=[O:24])[O:25][H:48])([H:49])[H:50])([H:51])[H:52]>>[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:23]([C:22]([N:21]([H:51])[H:52])([H:49])[H:50])=[O:24])[H:29])([C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])[H:39])([C:18](=[O:19])[O:20][H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:25][H:48]