Isopropanol → 2-[5-Bromo-2-(3-dimethylcarbamoylmethyl-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

HRID 201639Notes

Reaction equation

HRID 201639 reaction equation
[Br:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH:55]([OH:56])([CH3:57])[CH3:58].[NH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:36][c:37]1[O:38][CH3:39])[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[N:33]([CH3:34])[CH3:35])[CH2:28][CH2:29]2.[O:40]=[S:41](=[O:42])([OH:43])[CH2:44][C:45]12[CH2:46][CH2:47][CH:48]([C:49]1([CH3:50])[CH3:51])[CH2:52][C:53]2=[O:54]>>[Br:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[n:4][c:5]([NH:20][c:21]2[cH:22][c:23]3[c:24]([cH:36][c:37]2[O:38][CH3:39])[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[N:33]([CH3:34])[CH3:35])[CH2:28][CH2:29]3)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 587484682-(5-Bromo-2-chloro-pyrimidin-4-ylamino)-N-methyl-benzamideHCID 672635242-(7-amino-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-N,N-dimethylacetamide

Product 1

HCID 668302282-[5-Bromo-2-(3-dimethylcarbamoylmethyl-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-43160b615f1746dbb6fb48a7f74205d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…