Water → 4-(2-cyano-1-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]-pyrimidin-4-yl)-1H-pyrazol-1-yl]ethyl)thiophene-2-carbonitrile
Reaction equation
[CH3:41][S:42](=[O:43])(=[O:44])[Cl:45].[OH2:46].[OH:1][N:2]=[CH:3][c:4]1[cH:5][c:6]([CH:9]([CH2:10][C:11]#[N:12])[n:13]2[n:14][cH:15][c:16](-[c:18]3[c:19]4[c:20]([n:21][cH:22][n:23]3)[n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:25][cH:26]4)[cH:17]2)[cH:7][s:8]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[N:2]#[C:3][c:4]1[cH:5][c:6]([CH:9]([CH2:10][C:11]#[N:12])[n:13]2[n:14][cH:15][c:16](-[c:18]3[c:19]4[c:20]([n:21][cH:22][n:23]3)[n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:25][cH:26]4)[cH:17]2)[cH:7][s:8]1Participants
5
Sources & evidence
- ORD record
- ord-4e24ec67b1a14109af94d6dfd9e3c5f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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