Isopropanol → HCID 178462604, compound

HRID 88052Notes

Reaction equation

HRID 88052 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:54]([OH:55])([CH3:56])[CH3:57].[Cl:31][c:32]1[n:33][cH:34][c:35]([Cl:50])[c:36]([NH:38][CH:39]2[CH:40]([NH:45][S:46](=[O:47])(=[O:48])[CH3:49])[CH2:41][CH2:42][CH2:43][CH2:44]2)[n:37]1.[Cl:51][CH2:52][Cl:53]>>[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][CH:39]3[CH:40]([NH:45][S:46](=[O:47])(=[O:48])[CH3:49])[CH2:41][CH2:42][CH2:43][CH2:44]3)[n:37]1)[cH:28]2

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 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 86633859N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-cyclohexyl]-methanesulfonamide

Product 1

HCID 178462604HCID 178462604, compound

Sources & evidence

ORD record
ord-404f9371ae2d4f159c185c40c9f61715
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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