Isopropanol → HCID 178425838, compound

HRID 163940Notes

Reaction equation

HRID 163940 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].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:24])[c:6]([NH:8][c:9]2[c:10](-[c:15]3[nH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]3)[cH:11][cH:12][cH:13][cH:14]2)[n:7]1.[NH2:25][c:26]1[cH:27][c:28]2[c:29]([cH:38][cH:39]1)[NH:30][C:31](=[O:37])[CH2:32][CH2:33][C:34]2([CH3:35])[CH3:36]>>[c:2]1([NH:25][c:26]2[cH:27][c:28]3[c:29]([cH:38][cH:39]2)[NH:30][C:31](=[O:37])[CH2:32][CH2:33][C:34]3([CH3:35])[CH3:36])[n:3][cH:4][c:5]([Cl:24])[c:6]([NH:8][c:9]2[c:10](-[c:15]3[nH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]3)[cH:11][cH:12][cH:13][cH: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 178506249HCID 178506249, compound

Product 1

HCID 178425838HCID 178425838, compound

Sources & evidence

ORD record
ord-bc7f68d132ac48a288e9aeaa0d090b2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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