Chloride → 2-(1-Bromo-6-{[(2-ethyl-benzofuran-3-carbonyl)-amino]-methyl}-naphthalen-2-yloxy)-3-phenyl-propionic acid methyl ester

HRID 86095Notes

Reaction equation

HRID 86095 reaction equation
[Br:15][c:16]1[c:17]2[cH:18][cH:19][c:20]([CH2:39][NH3+:40])[cH:21][c:22]2[cH:23][cH:24][c:25]1[O:26][CH:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[C:35](=[O:36])[O:37][CH3:38].[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[c:6]([c:7]1[C:8](=[O:9])[Cl:10])[cH:11][cH:12][cH:13][cH:14]2.[CH2:49]([Cl:50])[Cl:51].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl-:41]>>[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[c:6]([c:7]1[C:8](=[O:9])[NH:40][CH2:39][c:20]1[cH:19][cH:18][c:17]3[c:16]([Br:15])[c:25]([O:26][CH:27]([CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[C:35](=[O:36])[O:37][CH3:38])[cH:24][cH:23][c:22]3[cH:21]1)[cH:11][cH:12][cH:13][cH:14]2

Participants

6

Reactant 5

HCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 185052915-Bromo-6-(1-methoxycarbonyl-2-phenyl-ethoxy)-naphthalen-2-ylmethyl-ammoniumHCID 185052952-Ethyl-benzofuran-3-carbonyl chloride

Product 1

HCID 691385692-(1-Bromo-6-{[(2-ethyl-benzofuran-3-carbonyl)-amino]-methyl}-naphthalen-2-yloxy)-3-phenyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-ec0f951a5f6c4b4c99b4c5f5674ac7a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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