Isopropanol → HCID 53320012, compound

HRID 2310988Notes

Reaction equation

HRID 2310988 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][cH:26][c:27]([NH2:29])[cH:28]2.[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl:30][c:31]1[n:32][cH:33][c:34]([Cl:49])[c:35]([NH:37][c:38]2[c:39]([C:40](=[O:41])[NH:42][CH3:43])[cH:44][cH:45][cH:46][c:47]2[F:48])[n:36]1>>[CH2:16]([CH3:17])[N:18]1[CH2:19][CH2:20][CH2:21][O:22][c:23]2[c:24]1[cH:25][cH:26][c:27]([NH:29][c:31]1[n:32][cH:33][c:34]([Cl:49])[c:35]([NH:37][c:38]3[c:39]([C:40](=[O:41])[NH:42][CH3:43])[cH:44][cH:45][cH:46][c:47]3[F:48])[n:36]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 672640069-Ethyl-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 53320012HCID 53320012, compound

Sources & evidence

ORD record
ord-6fea6ef9e5d24ee3986313afc41cec16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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