Isopropanol → HCID 86634072, compound

HRID 1570442Notes

Reaction equation

HRID 1570442 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:37])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][C:30]#[CH:31])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:22]1.[NH2:38][c:39]1[cH:40][c:41]2[c:42]([cH:53][cH:54]1)[N:43]([CH2:51][CH3:52])[CH2:44][C:45]([OH:48])([CH2:49][OH:50])[CH2:46][O:47]2>>[c:17]1([NH:38][c:39]2[cH:40][c:41]3[c:42]([cH:53][cH:54]2)[N:43]([CH2:51][CH3:52])[CH2:44][C:45]([OH:48])([CH2:49][OH:50])[CH2:46][O:47]3)[n:18][cH:19][c:20]([Cl:37])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][C:30]#[CH:31])[cH:32][cH:33][cH:34][c:35]2[F:36])[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 866339022-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide

Product 1

HCID 86634072HCID 86634072, compound

Sources & evidence

ORD record
ord-462aadae0a41437b89d885c878a258ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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