Isopropanol → HCID 178463274, compound

HRID 166987Notes

Reaction equation

HRID 166987 reaction equation
[C:41]12([CH2:42][S:43]([OH:44])(=[O:45])=[O:46])[C:47]([CH3:48])([CH3:49])[CH:50]([CH2:51][CH2:52]1)[CH2:53][C:54]2=[O:55].[CH3:23][O:24][c:25]1[c:26]([NH2:40])[cH:27][c:28]2[c:29]([cH:39]1)[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][O:37][CH3:38])[CH2:33][CH2:34]2.[CH:56]([OH:57])([CH3:58])[CH3:59].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:22])[c:6]([NH:8][CH:9]2[CH:10]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH2:20][CH3:21])[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:7]1>>[c:2]1([NH:40][c:26]2[c:25]([O:24][CH3:23])[cH:39][c:29]3[c:28]([cH:27]2)[CH2:34][CH2:33][N:32]([CH2:35][CH2:36][O:37][CH3:38])[CH2:31][CH2:30]3)[n:3][cH:4][c:5]([Cl:22])[c:6]([NH:8][CH:9]2[CH:10]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH2:20][CH3:21])[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 574161508-Methoxy-3-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amineHCID 178463273HCID 178463273, compound

Product 1

HCID 178463274HCID 178463274, compound

Sources & evidence

ORD record
ord-f967ce2e7d9c43e09f15533c38d26786
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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