N-methyl-2-pyrrolidone → HCID 178493181, compound
Reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([C:18]#[N:19])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:10][cH:11]1.[CH3:48][O:49][CH:50]1[CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:20][CH2:21][CH2:22][CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([C:29]2([C:30]#[N:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:37][cH:38]1>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([C:18]#[N:19])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:10][cH:11]1)[N:52]1[CH2:51][CH:50]([O:49][CH3:48])[CH2:54][CH2:53]1Participants
6
Sources & evidence
- ORD record
- ord-471a71fbb9dc4327a1536fa79e883799
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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