Acetonitrile → octanoic acid (4-chloro-6-pyrrolidin-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-amide
Reaction equation
[CH3:32][C:33]#[N:34].[O:1]=[c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])=[O:17])[nH:7]1)[nH:18][c:19]([CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1)[cH:20]2.[P:27]([Cl:28])([Cl:29])([Cl:30])=[O:31]>>[c:2]1([Cl:29])[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])=[O:17])[n:7]1)[nH:18][c:19]([CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1)[cH:20]2Participants
4
Sources & evidence
- ORD record
- ord-86711e45b4174bbcba63e8cdf618853a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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