Triethylamine → 4-[1-Benzenesulfonyl-5-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylethynyl]-benzoic acid ethyl ester

HRID 671598Notes

Reaction equation

HRID 671598 reaction equation
[CH2:30]([CH3:31])[O:32][C:33]([c:34]1[cH:35][cH:36][c:37]([C:40]#[CH:41])[cH:38][cH:39]1)=[O:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cu:50][I:51].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([I:29])[c:13]3[c:14]2[n:15][cH:16][c:17](-[c:19]2[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([C:41]#[C:40][c:37]3[cH:36][cH:35][c:34]([C:33]([O:32][CH2:30][CH3:31])=[O:42])[cH:39][cH:38]3)[c:13]3[c:14]2[n:15][cH:16][c:17](-[c:19]2[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 15540683Ethyl 4-ethynylbenzoateHCID 598119021-Benzenesulfonyl-5-(3,4-dimethoxy-phenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 578917434-[1-Benzenesulfonyl-5-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylethynyl]-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-14cb36b7549e47379f741c868c1ce0f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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