Isopropanol → HCID 66829718, compound

HRID 2338650Notes

Reaction equation

HRID 2338650 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].[CH:53]([OH:54])([CH3:55])[CH3:56].[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:35])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31][cH:32][c:33]2[F:34])[n:22]1.[NH2:36][c:37]1[cH:38][c:39]2[c:40]([cH:51][cH:52]1)[N:41]([CH2:49][CH3:50])[CH2:42][C:43]([OH:46])([CH2:47][OH:48])[CH2:44][O:45]2>>[c:17]1([NH:36][c:37]2[cH:38][c:39]3[c:40]([cH:51][cH:52]2)[N:41]([CH2:49][CH3:50])[CH2:42][C:43]([OH:46])([CH2:47][OH:48])[CH2:44][O:45]3)[n:18][cH:19][c:20]([Cl:35])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31][cH:32][c:33]2[F:34])[n:22]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 67264302HCID 67264302, compoundHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 66829718HCID 66829718, compound

Sources & evidence

ORD record
ord-fd6ff4f6ee1d4d4db9f705c0242ff403
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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