Isopropanol → HCID 53325270, compound

HRID 124427Notes

Reaction equation

HRID 124427 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:55]([OH:56])([CH3:57])[CH3:58].[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.[N:36]1([CH2:41][CH2:42][N:43]2[CH2:44][CH2:45][CH2:46][O:47][c:48]3[c:49]2[cH:50][cH:51][c:52]([NH2:54])[cH:53]3)[CH2:37][CH2:38][CH2:39][CH2:40]1>>[c:17]1([NH:54][c:52]2[cH:51][cH:50][c:49]3[c:48]([cH:53]2)[O:47][CH2:46][CH2:45][CH2:44][N:43]3[CH2:42][CH2:41][N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[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 67264371HCID 67264371, compoundHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 53325270HCID 53325270, compound

Sources & evidence

ORD record
ord-b99b206e61104480aa1b2018602d878d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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