3-Cyano-3-phenylpropanoic acid → 4-[7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1h)-yl]-4-oxo-2-phenylbutanenitrile

HRID 1543777Notes

Reaction equation

HRID 1543777 reaction equation
[C:1](#[N:2])[CH:3]([CH2:4][C:5](=[O:6])[OH:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[NH2:14][c:15]1[n:16][c:17]([N:40]2[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]2)[cH:18][c:19](-[c:21]2[cH:22][cH:23][c:24]3[c:29]([cH:30]2)[CH2:28][N:27]([C:31]([O:32][CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)=[O:39])[CH2:26][CH2:25]3)[n:20]1>>[C:1](#[N:2])[CH:3]([CH2:4][C:5](=[O:7])[N:27]1[CH2:26][CH2:25][c:24]2[cH:23][cH:22][c:21](-[c:19]3[cH:18][c:17]([N:40]4[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]4)[n:16][c:15]([NH2:14])[n:20]3)[cH:30][c:29]2[CH2:28]1)[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

3

Reactant 2

HCID 111946253-Cyano-3-phenylpropanoic acidHCID 59496558piperidin-4-yl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 1

HCID 594966974-[7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1h)-yl]-4-oxo-2-phenylbutanenitrile

Sources & evidence

ORD record
ord-9b773d1c019d44adaa83a599a49c5b24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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