Isopropanol → HCID 178463275, compound

HRID 1572617Notes

Reaction equation

HRID 1572617 reaction equation
[C:23]12([CH2:24][S:25]([OH:26])(=[O:27])=[O:28])[C:29]([CH3:30])([CH3:31])[CH:32]([CH2:33][CH2:34]1)[CH2:35][C:36]2=[O:37].[CH:53]([OH:54])([CH3:55])[CH3:56].[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.[NH2:38][c:39]1[cH:40][c:41]2[c:42]([cH:51][cH:52]1)[NH:43][C:44](=[O:50])[CH2:45][CH2:46][C:47]2([CH3:48])[CH3:49]>>[c:2]1([NH:38][c:39]2[cH:40][c:41]3[c:42]([cH:51][cH:52]2)[NH:43][C:44](=[O:50])[CH2:45][CH2:46][C:47]3([CH3:48])[CH3:49])[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 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 178463273HCID 178463273, compound

Product 1

HCID 178463275HCID 178463275, compound

Sources & evidence

ORD record
ord-33e392859f5243edb962d62599b48b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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