N-methyl-2-pyrrolidone → HCID 178521494, compound
Reaction equation
[CH3:62][N:63]1[CH2:64][CH2:65][CH2:66][C:67]1=[O:68].[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:28][CH2:29][C:30]([OH:31])([c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[c:39]3[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:27])[CH:18]([OH:26])[CH:19]([NH:21][C:22]([CH2:23][OH:24])=[O:25])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[c:46]1([O:52][C:53](=[O:47])[NH:54][c:55]2[cH:56][n:57][cH:58][cH:59][cH:60]2)[cH:48][cH:49][cH:50][cH:51][cH:61]1>>[NH:1]([CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:28][CH2:29][C:30]([OH:31])([c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[c:39]3[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:27])[CH:18]([OH:26])[CH:19]([NH:21][C:22]([CH2:23][OH:24])=[O:25])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1)[C:53](=[O:52])[NH:54][c:55]1[cH:56][n:57][cH:58][cH:59][cH:60]1Participants
4
Sources & evidence
- ORD record
- ord-5f81b57770c74de99a2960556789ddde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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