EVODEX.1-P4996

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:53]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:54]):[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:55])[N:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:65])[N:31]([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([N:32]([C:33](=[O:34])[C@:35]([C:36]([C:37]([C:38]([N:39]([H:75])[H:76])=[O:40])([H:77])[H:78])([H:79])[H:80])([N:41]([C:42](=[O:43])[O:44][C:45]([C:46]([H:81])([H:82])[H:83])([C:47]([H:84])([H:85])[H:86])[C:48]([H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96]):[C:49]([H:97]):[C:50]([H:98]):[C:51]:1:2)([H:99])([H:100])[H:101].[H][O:52][H:102]>>[C:11](=[O:12])([C:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:55])[N:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:65])[N:31]([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([N:32]([C:33](=[O:34])[C@:35]([C:36]([C:37]([C:38]([N:39]([H:75])[H:76])=[O:40])([H:77])[H:78])([H:79])[H:80])([N:41]([C:42](=[O:43])[O:44][C:45]([C:46]([H:81])([H:82])[H:83])([C:47]([H:84])([H:85])[H:86])[C:48]([H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[O:52][H:102].[H][N:10]([C:9]1:[C:8]([H:54]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:53]):[C:2]([C:1]([H:99])([H:100])[H:101]):[C:51]:2:[C:50]([H:98]):[C:49]:1[H:97])[H:96]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E250 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414].[#8:221](-[H:429])-[H]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8:221]-[H:429])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]

EVODEX.1-C908 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:13](-[#6@:12])-[#7:15].[H]-[#8:1]>>[H]-[#7:15].[#8:1]-[#6:13]-[#6@@:12]

EVODEX.1-N1140 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:8]-[#6@@:12](-[#6:11])(-[#6:13](=[#8:14])-[#7:15](-[#6:16])-[H:47])-[H:48].[H]-[#8:1]-[H:59]>>[H]-[#7:15](-[#6:16])-[H:47].[#8:1](-[#6:13](-[#6@@:12](-[H:48])(-[#7:8])-[#6:11])=[#8:14])-[H:59]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5777

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:53]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:54]):[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:55])[N:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:65])[N:31]([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([N:32]([C:33](=[O:34])[C@:35]([C:36]([C:37]([C:38]([N:39]([H:75])[H:76])=[O:40])([H:77])[H:78])([H:79])[H:80])([N:41]([C:42](=[O:43])[O:44][C:45]([C:46]([H:81])([H:82])[H:83])([C:47]([H:84])([H:85])[H:86])[C:48]([H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96]):[C:49]([H:97]):[C:50]([H:98]):[C:51]:1:2)([H:99])([H:100])[H:101].[H][O:52][H:102]>>[C:11](=[O:12])([C:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:55])[N:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:65])[N:31]([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([N:32]([C:33](=[O:34])[C@:35]([C:36]([C:37]([C:38]([N:39]([H:75])[H:76])=[O:40])([H:77])[H:78])([H:79])[H:80])([N:41]([C:42](=[O:43])[O:44][C:45]([C:46]([H:81])([H:82])[H:83])([C:47]([H:84])([H:85])[H:86])[C:48]([H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[O:52][H:102].[H][N:10]([C:9]1:[C:8]([H:54]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:53]):[C:2]([C:1]([H:99])([H:100])[H:101]):[C:51]:2:[C:50]([H:98]):[C:49]:1[H:97])[H:96]