Hexane → HCID 21961320, compound

HRID 297620Notes

Reaction equation

HRID 297620 reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH2:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1.[Cl:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH:21][C:26](=[O:27])[c:28]2[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 85014-Chlorobenzoyl chlorideHCID 8857Ethyl AcetateHCID 105199783-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-amine

Product 1

HCID 21961320HCID 21961320, compound

Sources & evidence

ORD record
ord-b7bf721981524327a8b704b24d7eb15b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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