Triethylamine → Ethyl3-Amino-4-(3-methylbut-1-ynyl)benzoate

HRID 1120331Notes

Reaction equation

HRID 1120331 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([NH2:12])[c:8]([I:11])[cH:9][cH:10]1)=[O:13].[CH3:14][CH:15]([C:16]#[CH:17])[CH3:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[Cu:26][I:27].[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([NH2:12])[c:8]([C:17]#[C:16][CH:15]([CH3:14])[CH3:18])[cH:9][cH:10]1)=[O:13]

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 690193-Methylbut-1-yneHCID 59762281Ethyl 3-amino-4-iodobenzoate

Product 1

HCID 59762350Ethyl3-Amino-4-(3-methylbut-1-ynyl)benzoate

Sources & evidence

ORD record
ord-706a0de2278d44c9b12418e3290e99c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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