Chloride → 4-[4-(2,4,6-trimethyl-phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile
Reaction equation
[Al+3:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[S:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24].[Cl-:36].[Cl-:38].[Cl-:39].[Cl:41][c:42]1[c:43]([Cl:44])[cH:45][cH:46][cH:47][cH:48]1.[OH2:40]>>[nH:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[S:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-843003cdbdaa49a3ad990c211f49c1c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…