Water → 3-[3-[(5-Bromo-2-methylsulfanylpyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
Reaction equation
[Br:6][c:7]1[c:8]([NH:15][CH:16]2[CH2:17][NH:18][CH2:19][CH2:20][CH2:21]2)[n:9][c:10]([S:13][CH3:14])[n:11][cH:12]1.[C:44](#[N:45])[CH2:46][C:47](=[O:48])[O:49][CH2:50][CH3:51].[N:22]1([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][NH:43]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:52]>>[Br:6][c:7]1[c:8]([NH:15][CH:16]2[CH2:17][N:18]([C:47]([CH2:46][C:44]#[N:45])=[O:48])[CH2:19][CH2:20][CH2:21]2)[n:9][c:10]([S:13][CH3:14])[n:11][cH:12]1Participants
6
Sources & evidence
- ORD record
- ord-15b7e3f275fd4e5a865e0eae01562b73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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