Isopropanol → HCID 66829624, compound

HRID 181374Notes

Reaction equation

HRID 181374 reaction equation
[C:34]12([CH2:35][S:36]([OH:37])(=[O:38])=[O:39])[C:40]([CH3:41])([CH3:42])[CH:43]([CH2:44][CH2:45]1)[CH2:46][C:47]2=[O:48].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:14][c:15]1[n:16][cH:17][c:18]([Cl:33])[c:19]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][c:31]2[F:32])[n:20]1.[Cl:53][CH2:54][Cl:55].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[NH:7][C:8](=[O:12])[CH2:9][CH2:10][O:11]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[NH:7][C:8](=[O:12])[CH2:9][CH2:10][O:11]2)[c:15]1[n:16][cH:17][c:18]([Cl:33])[c:19]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][c:31]2[F:32])[n:20]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 578538337-Amino-2,3-dihydro-1,5-benzoxazepin-4(5H)-oneHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 66829624HCID 66829624, compound

Sources & evidence

ORD record
ord-f0b9a87f570b4b9aafe94b7562bb37f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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