N-methyl-2-pyrrolidone → HCID 59321391, compound
Reaction equation
[CH3:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56].[CH3:76][N:77]1[CH2:78][CH2:79][CH2:80][C:81]1=[O:82].[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[F:1][c:2]1[c:3]([C:22](=[O:23])[OH:24])[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1.[NH2:25][CH2:26][C:27]1([c:40]2[cH:41][cH:42][n:43][cH:44][cH:45]2)[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]1.[OH:57][n:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[n:65][n:66]1>>[F:1][c:2]1[c:3]([C:22](=[O:24])[NH:25][CH2:26][C:27]2([c:40]3[cH:41][cH:42][n:43][cH:44][cH:45]3)[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-793c1ebe9fe5428fb9d55accc8346661
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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