Isopropanol → HCID 66830418, compound

HRID 192747Notes

Reaction equation

HRID 192747 reaction equation
[C:35]12([CH2:36][S:37]([OH:38])(=[O:39])=[O:40])[C:41]([CH3:42])([CH3:43])[CH:44]([CH2:45][CH2:46]1)[CH2:47][C:48]2=[O:49].[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[CH2:10][CH2:11]1.[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:34])[c:22]([NH:24][C:25]([CH2:26][NH:27][S:28](=[O:29])(=[O:30])[CH3:31])([CH3:32])[CH3:33])[n:23]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH:16][c:18]3[n:19][cH:20][c:21]([Cl:34])[c:22]([NH:24][C:25]([CH2:26][NH:27][S:28](=[O:29])(=[O:30])[CH3:31])([CH3:32])[CH3:33])[n:23]3)[cH:14][cH:15]2)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 86633871N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-2-methyl-propyl]-methanesulfonamide

Product 1

HCID 66830418HCID 66830418, compound

Sources & evidence

ORD record
ord-dba996ae138541bf87aa3234467fbafe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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