Isopropanol → HCID 66830633, compound

HRID 2144751Notes

Reaction equation

HRID 2144751 reaction equation
[C:37]12([CH2:38][S:39]([OH:40])(=[O:41])=[O:42])[C:43]([CH3:44])([CH3:45])[CH:46]([CH2:47][CH2:48]1)[CH2:49][C:50]2=[O:51].[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1.[NH2:22][c:23]1[cH:24][c:25]2[c:26]([cH:35][cH:36]1)[NH:27][C:28](=[O:34])[CH2:29][CH2:30][C:31]2([CH3:32])[CH3:33]>>[c:2]1([NH:22][c:23]2[cH:24][c:25]3[c:26]([cH:35][cH:36]2)[NH:27][C:28](=[O:34])[CH2:29][CH2:30][C:31]3([CH3:32])[CH3:33])[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]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 86633964HCID 86633964, compound

Product 1

HCID 66830633HCID 66830633, compound

Sources & evidence

ORD record
ord-912fe6b7b6094d60814c6cc1fea2bf93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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