Isopropanol → 2-{5-chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-3,N-dimethyl-benzamide

HRID 694360Notes

Reaction equation

HRID 694360 reaction equation
[C:37]12([CH2:38][S:39]([OH:40])(=[O:41])=[O:42])[C:43]([CH3:44])([CH3:45])[CH:46]([CH2:47][CH2:48]1)[CH2:49][C:50]2=[O:51].[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[CH2:10][CH2:11]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]2[c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[CH3:35])[n:23]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH:16][c:18]3[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]4[c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32][cH:33][c:34]4[CH3:35])[n:23]3)[cH:14][cH:15]2)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 866338742-(2,5-dichloropyrimidin-4-ylamino)-N,3-dimethylbenzamide

Product 1

HCID 533186952-{5-chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-3,N-dimethyl-benzamide

Sources & evidence

ORD record
ord-d6b26dd4bdbb48de81c3fa848d719ce5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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