piperidin-4-yl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate → 4-[7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1h)-yl]-2-cyclopropyl-2-methyl-4-oxobutanenitrile
Reaction equation
[C:1](#[N:2])[C:3]([CH2:4][C:5](=[O:6])[OH:7])([CH3:8])[CH:9]1[CH2:10][CH2:11]1.[NH2:12][c:13]1[n:14][c:15]([N:38]2[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]2)[cH:16][c:17](-[c:19]2[cH:20][cH:21][c:22]3[c:27]([cH:28]2)[CH2:26][N:25]([C:29]([O:30][CH:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)=[O:37])[CH2:24][CH2:23]3)[n:18]1>>[C:1](#[N:2])[C:3]([CH2:4][C:5](=[O:7])[N:25]1[CH2:24][CH2:23][c:22]2[cH:21][cH:20][c:19](-[c:17]3[cH:16][c:15]([N:38]4[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]4)[n:14][c:13]([NH2:12])[n:18]3)[cH:28][c:27]2[CH2:26]1)([CH3:8])[CH:9]1[CH2:10][CH2:11]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-2ecb31d223f64b69a0ad1bfeac5a9e8b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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