Isopropanol → HCID 178495779, compound

HRID 1561193Notes

Reaction equation

HRID 1561193 reaction equation
[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[CH3:22][O:23][c:24]1[c:25]([NH2:39])[cH:26][c:27]2[c:28]([cH:38]1)[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][O:36][CH3:37])[CH2:32][CH2:33]2.[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][CH:9]2[CH:10]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:7]1>>[c:2]1([NH:39][c:25]2[c:24]([O:23][CH3:22])[cH:38][c:28]3[c:27]([cH:26]2)[CH2:33][CH2:32][N:31]([CH2:34][CH2:35][O:36][CH3:37])[CH2:30][CH2:29]3)[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][CH:9]2[CH:10]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[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 178482130HCID 178482130, compound

Product 1

HCID 178495779HCID 178495779, compound

Sources & evidence

ORD record
ord-ea3bad70142446799e8f90463a5c2eb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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