Ethyl Acetate → 3-Acetylamino-4-hept-1-ynyl-benzoic acid methyl ester

HRID 1241069

Reaction equation

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

Participants

Reactant 4

HCID 8857Ethyl Acetate

HCID 8900Heptane

HCID 123501-Heptyne

HCID 866466243-Acetylamino-4-(toluene-4-sulfonyloxy)-benzoic acid methyl ester

Product 1

HCID 252214963-Acetylamino-4-hept-1-ynyl-benzoic acid methyl ester

Sources & evidence

ORD record: ord-ec32f21a474c4ee38dc2d3bc1c62c1ea
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Linked notes

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