N-methyl-2-pyrrolidone → HCID 178467614, compound
Reaction equation
[CH3:67][N:68]1[CH2:69][CH2:70][CH2:71][C:72]1=[O:73].[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:35])[CH:18]([OH:34])[CH:19]([NH:21][C:22]([CH:23]([CH3:24])[O:25][CH2:26][c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)=[O:33])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[c:51]1([O:57][C:58](=[O:52])[NH:59][c:60]2[cH:61][n:62][cH:63][cH:64][cH:65]2)[cH:53][cH:54][cH:55][cH:56][cH:66]1>>[NH:1]([CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:35])[CH:18]([OH:34])[CH:19]([NH:21][C:22]([CH:23]([CH3:24])[O:25][CH2:26][c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)=[O:33])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1)[C:58](=[O:57])[NH:59][c:60]1[cH:61][n:62][cH:63][cH:64][cH:65]1Participants
4
Sources & evidence
- ORD record
- ord-5888dd5c67a546bc9cf9d6ac773bddfc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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