Ammonium → (4-(1-(2-Cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
Reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][n:21]([CH:23]([CH2:24][CH:25]=[O:26])[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:22]1.[I:39].[NH4+:37].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:38].[OH2:40]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][n:21]([CH:23]([CH2:24][C:25]#[N:37])[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:22]1Participants
7
Sources & evidence
- ORD record
- ord-425f405e85ee471c9d4914fed26e331e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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