Isopropanol → HCID 66830193, compound

HRID 148410Notes

Reaction equation

HRID 148410 reaction equation
[C:38]12([CH2:39][S:40]([OH:41])(=[O:42])=[O:43])[C:44]([CH3:45])([CH3:46])[CH:47]([CH2:48][CH2:49]1)[CH2:50][C:51]2=[O:52].[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH2:14])[cH:12][cH:13]2.[CH:53]([OH:54])([CH3:55])[CH3:56].[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:37])[c:22]([NH:24][c:25]2[c:26]([S:31](=[O:32])(=[O:33])[N:34]([CH3:35])[CH3:36])[cH:27][cH:28][cH:29][cH:30]2)[n:23]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH:14][c:18]1[n:19][cH:20][c:21]([Cl:37])[c:22]([NH:24][c:25]3[c:26]([S:31](=[O:32])(=[O:33])[N:34]([CH3:35])[CH3:36])[cH:27][cH:28][cH:29][cH:30]3)[n:23]1)[cH:12][cH:13]2

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 467382872-(2,5-Dichloro-pyrimidin-4-ylamino)-N,N-dimethyl-benzenesulfonamideHCID 672642811,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine

Product 1

HCID 66830193HCID 66830193, compound

Sources & evidence

ORD record
ord-7903c9c9b8fd441ca72abe643b2ba20c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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