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EVODEX.1-P1858

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:53]([C:54]([C:55](=[O:56])[O:57][H:98])([H:99])[H:100])[H:101]>>[H]C([H])([H])C([H])([H])C(=O)[N:53]([C:54]([C:55](=[O:56])[O:57][H:98])([H:99])[H:100])[H:101]

Derived Operators

EVODEX.1-F109 - Elemental Balance

O1
C3
H4

EVODEX.1-M238 - Mass Difference

56.02622

EVODEX.1-E693 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6:7])(-[H:27])-[H]>>[#6](-[#6](-[#6](=[#8])-[#7:6](-[#6:7])-[H:27])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C302 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N345 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6:7])-[H:27]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6:7])-[H:27]

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-R2556

Full Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:58])([C:18]([C:19]([H:59])([H:60])[H:61])([C:20]([H:62])([H:63])[H:64])[C:21]([O:22][P:23](=[O:24])([O:25][H:65])[O:26][P:27](=[O:28])([O:29][H:66])[O:30][C:31]([C@@:32]1([H:67])[O:33][C@:34]([N:35]2:[C:36]([H:68]):[N:37]:[C:38]3:[C:39]([N:40]([H:69])[H:70]):[N:41]:[C:42]([H:71]):[N:43]:[C:44]:2:3)([H:72])[C@@:45]([O:46][H:73])([H:74])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:75])[O:52][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:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])([H:96])[H:97].[H][N:53]([C:54]([C:55](=[O:56])[O:57][H:98])([H:99])[H:100])[H:101]>>[C:1]([C:2]([C:3](=[O:4])[N:53]([C:54]([C:55](=[O:56])[O:57][H:98])([H:99])[H:100])[H:101])([H:93])[H:94])([H:95])([H:96])[H:97].[H][S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:58])([C:18]([C:19]([H:59])([H:60])[H:61])([C:20]([H:62])([H:63])[H:64])[C:21]([O:22][P:23](=[O:24])([O:25][H:65])[O:26][P:27](=[O:28])([O:29][H:66])[O:30][C:31]([C@@:32]1([H:67])[O:33][C@:34]([N:35]2:[C:36]([H:68]):[N:37]:[C:38]3:[C:39]([N:40]([H:69])[H:70]):[N:41]:[C:42]([H:71]):[N:43]:[C:44]:2:3)([H:72])[C@@:45]([O:46][H:73])([H:74])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:75])[O:52][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:89])[H:90])([H:91])[H:92]