Isopropanol → HCID 66829568, compound

HRID 1573549Notes

Reaction equation

HRID 1573549 reaction equation
[C:1]12([CH2:2][S:3]([OH:4])(=[O:5])=[O:6])[C:7]([CH3:8])([CH3:9])[CH:10]([CH2:11][CH2:12]1)[CH2:13][C:14]2=[O:15].[CH2:16]([CH3:17])[N:18]1[CH2:19][CH2:20][CH2:21][O:22][c:23]2[c:24]1[cH:25][c:26]([F:30])[c:27]([NH2:29])[cH:28]2.[CH:51]([OH:52])([CH3:53])[CH3:54].[Cl:31][c:32]1[n:33][cH:34][c:35]([Cl:50])[c:36]([NH:38][c:39]2[c:40]([C:41](=[O:42])[NH:43][CH3:44])[cH:45][cH:46][cH:47][c:48]2[F:49])[n:37]1>>[CH2:16]([CH3:17])[N:18]1[CH2:19][CH2:20][CH2:21][O:22][c:23]2[c:24]1[cH:25][c:26]([F:30])[c:27]([NH:29][c:32]1[n:33][cH:34][c:35]([Cl:50])[c:36]([NH:38][c:39]3[c:40]([C:41](=[O:42])[NH:43][CH3:44])[cH:45][cH:46][cH:47][c:48]3[F:49])[n:37]1)[cH:28]2

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 672638939-Ethyl-2-fluoro-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-3-ylamineHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 66829568HCID 66829568, compound

Sources & evidence

ORD record
ord-501d13baeddf4a168f6df7e104da39e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…