EVODEX Logo

EVODEX.1-P2548

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:25]([C:26]([C:27]([C:28]([N:29]([C:30]([C:31]([C:32]([N:33]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[C:34]([C:35]([C:36]([N:37]([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83]>>[H]N([H])C([H])([H])C([H])([H])C([H])([H])[N:25]([C:26]([C:27]([C:28]([N:29]([C:30]([C:31]([C:32]([N:33]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[C:34]([C:35]([C:36]([N:37]([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83]

Derived Operators

EVODEX.1-F145 - Elemental Balance

C3
N1
H7

EVODEX.1-M249 - Mass Difference

57.05791000000001

EVODEX.1-E803 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:25](-[#6:26])(-[H:76])-[H]>>[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7:25](-[#6:26])-[H:76])(-[H])-[H]

EVODEX.1-C396 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:34]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34]

EVODEX.1-N474 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:34](-[#6:33])-[H:58]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34](-[#6:33])-[H:58]

EVODEX.1-Em102 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm135 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

Source Full Reactions

EVODEX.1-R3291

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C:5]([N:6]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[C:7]([C@@:8]1([H:46])[O:9][C@:10]([N:11]2:[C:12]([H:47]):[N:13]:[C:14]3:[C:15]([N:16]([H:48])[H:49]):[N:17]:[C:18]([H:50]):[N:19]:[C:20]:2:3)([H:51])[C@@:21]([O:22][H:52])([H:53])[C@@:23]1([O:24][H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][N:25]([C:26]([C:27]([C:28]([N:29]([C:30]([C:31]([C:32]([N:33]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[C:34]([C:35]([C:36]([N:37]([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83]>>[C:3]([C:4]([C:5]([N:6]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([N:25]([C:26]([C:27]([C:28]([N:29]([C:30]([C:31]([C:32]([N:33]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[C:34]([C:35]([C:36]([N:37]([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:44])[H:45].[C:1]([S:2][C:7]([C@@:8]1([H:46])[O:9][C@:10]([N:11]2:[C:12]([H:47]):[N:13]:[C:14]3:[C:15]([N:16]([H:48])[H:49]):[N:17]:[C:18]([H:50]):[N:19]:[C:20]:2:3)([H:51])[C@@:21]([O:22][H:52])([H:53])[C@@:23]1([O:24][H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[HH]