Isopropanol → 2-[5-Chloro-2-(1-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-8-ylamino)-pyrimidin-4-ylamino]-3,N-dimethyl-benzamide

HRID 2156711Notes

Reaction equation

HRID 2156711 reaction equation
[CH:34]([OH:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[CH3:19])[n:7]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:33]1)[C:27](=[O:32])[NH:28][CH2:29][CH2:30][CH2:31]2>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:33]2)[C:27](=[O:32])[NH:28][CH2:29][CH2:30][CH2:31]3)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[CH3:19])[n:7]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 672647208-amino-2,3,4,5-tetrahydro-1H-2-benzazepin-1-oneHCID 866338742-(2,5-dichloropyrimidin-4-ylamino)-N,3-dimethylbenzamide

Product 1

HCID 668305022-[5-Chloro-2-(1-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-8-ylamino)-pyrimidin-4-ylamino]-3,N-dimethyl-benzamide

Sources & evidence

ORD record
ord-2f5307839bda4f33bec4a427efd68b6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…