Benzene → Methyl 2-(benzamido)-4-(phenylethynyl)benzoate

HRID 1124313Notes

Reaction equation

HRID 1124313 reaction equation
[C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)(=[O:15])[NH:16][c:17]1[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][c:25]([C:27]#[CH:28])[cH:26]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:35].[Cu:36][I:37].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([C:28]#[C:27][c:25]2[cH:24][cH:23][c:18]([C:19](=[O:20])[O:21][CH3:22])[c:17]([NH:16][C:8]([c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)=[O:15])[cH:26]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 1140TolueneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 57879399Methyl 2-(benzamido)-4-ethynylbenzoate

Product 1

HCID 57879537Methyl 2-(benzamido)-4-(phenylethynyl)benzoate

Sources & evidence

ORD record
ord-e29be1edd26b46e29a137ad847c55a3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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