Isopropanol → HCID 22464448, compound

HRID 118369Notes

Reaction equation

[Al+3:5].[CH3:10][CH:11]([CH3:12])[O-:13].[CH3:1][CH:2]([CH3:3])[O-:4].[CH3:6][CH:7]([CH3:8])[O-:9].[CH:38]([OH:39])([CH3:40])[CH3:41].[O:14]=[C:15]1[N:16]([CH:25]([C:26](=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[C:17](=[O:24])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21>>[O:14]=[C:15]1[N:16]([CH:25]([CH:26]([OH:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[C:17](=[O:24])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21

Participants

Reactant 4

HCID 3776Isopropanol

HCID 104727Aluminum Cation

HCID 3260420Isopropanolate3×

HCID 197916912-(1,3-Dioxo-2-azaindan-2-yl)-4-methyl-1-phenylpentan-1-one

Product 1

HCID 22464448HCID 22464448, compound

Sources & evidence

ORD record: ord-5085c3c528fa450aa79cd6656ddfdcad
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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