Hexane → HCID 18367954, compound

HRID 115302Notes

Reaction equation

HRID 115302 reaction equation
[C:22]([CH2:23][CH:24]([CH3:25])[CH3:26])(=[O:27])[Cl:28].[C:35]([O:36][CH2:37][CH3:38])(=[O:39])[CH3:40].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[n:15][cH:16][cH:17][c:18]([O:20][CH3:21])[cH:19]2)[nH:4][c:5]2[cH:6][c:7]([Cl:11])[cH:8][cH:9][c:10]12>>[NH:1]([c:2]1[c:3]([C:12](=[O:13])[c:14]2[n:15][cH:16][cH:17][c:18]([O:20][CH3:21])[cH:19]2)[nH:4][c:5]2[cH:6][c:7]([Cl:11])[cH:8][cH:9][c:10]12)[C:22]([CH2:23][CH:24]([CH3:25])[CH3:26])=[O:27]

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 66054Isovaleryl chlorideHCID 183680323-Amino-6-chloro-2-(4-methoxy-pyridine-2-carbonyl)indole

Product 1

HCID 18367954HCID 18367954, compound

Sources & evidence

ORD record
ord-efb98987f5ff4a2082146de93c16f356
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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