Isopropanol → 2-[[5-chloro-2-[[5-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide

HRID 827028Notes

Reaction equation

HRID 827028 reaction equation
[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:21][c:22]1[n:23][cH:24][c:25]([Cl:39])[c:26]([NH:28][c:29]2[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]2)[n:27]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[N:7]([C:12]([CH2:13][N:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)=[O:19])[CH2:8][CH2:9][CH2:10][O:11]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[N:7]([C:12]([CH2:13][N:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)=[O:19])[CH2:8][CH2:9][CH2:10][O:11]2)[c:22]1[n:23][cH:24][c:25]([Cl:39])[c:26]([NH:28][c:29]2[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]2)[n:27]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 672649001-(2-Amino-7,8-dihydro-6H-5-oxa-9-aza-benzocyclohepten-9-yl)-2-pyrrolidin-1-yl-ethanone

Product 1

HCID 668301212-[[5-chloro-2-[[5-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide

Sources & evidence

ORD record
ord-2296333a9936466bb4737215149fc3d6
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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