Hexane → HCID 68815664, compound

Reaction equation

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

Participants

Reactant 5

HCID 8058Hexane

HCID 8635Methyl Anthranilate

HCID 8857Ethyl Acetate

HCID 24386Thionyl Chloride

HCID 189870744-Hydroxy-3-methoxy-α-methylbenzeneacetic acid

Product 1

HCID 68815664HCID 68815664, compound

Sources & evidence

ORD record: ord-a846b078143f47e6aff6576f3ba7a917
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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