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

HRID 2328251Notes

Reaction equation

HRID 2328251 reaction equation
[C:36]12([CH2:37][S:38]([OH:39])(=[O:40])=[O:41])[C:42]([CH3:43])([CH3:44])[CH:45]([CH2:46][CH2:47]1)[CH2:48][C:49]2=[O:50].[CH:51]([OH:52])([CH3:53])[CH3:54].[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[F:19])[n:7]1.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:34][cH:35]1)[CH2:26][CH2:27][CH2:28][C:29](=[O:33])[N:30]2[CH2:31][CH3:32]>>[c:2]1([NH:21][c:22]2[cH:23][c:24]3[c:25]([cH:34][cH:35]2)[CH2:26][CH2:27][CH2:28][C:29](=[O:33])[N:30]3[CH2:31][CH3:32])[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[F:19])[n:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 98991662H-1-Benzazepin-2-one, 8-amino-1-ethyl-1,3,4,5-tetrahydro-HCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 668305912-[5-Chloro-2-(1-ethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide

Sources & evidence

ORD record
ord-5720b944bf16403f86edda938e68e6e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…