Isopropanol → HCID 66829915, compound

HRID 1218782Notes

Reaction equation

HRID 1218782 reaction equation
[C:33]12([CH2:34][S:35]([OH:36])(=[O:37])=[O:38])[C:39]([CH3:40])([CH3:41])[CH:42]([CH2:43][CH2:44]1)[CH2:45][C:46]2=[O:47].[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:10][c:11]([NH2:14])[cH:12][cH:13]2)[CH2:8][CH2:9]1.[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:15][c:16]1[n:17][cH:18][c:19]([Cl:32])[c:20]([NH:22][CH2:23][C:24]([CH3:25])([CH3:26])[NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[n:21]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:10][c:11]([NH:14][c:16]3[n:17][cH:18][c:19]([Cl:32])[c:20]([NH:22][CH2:23][C:24]([CH3:25])([CH3:26])[NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[n:21]3)[cH:12][cH:13]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 189434013-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamineHCID 79633335HCID 79633335, compound

Product 1

HCID 66829915HCID 66829915, compound

Sources & evidence

ORD record
ord-b362ffbdc4c6466b9cfdb6c6fbcaf871
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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