4-(2-Ethoxycarbonylethyl)benzeneboronic acid → 3-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)-propionic acid ethyl ester

HRID 1214049Notes

Reaction equation

HRID 1214049 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1.[CH2:36]([CH3:37])[O:38][C:39](=[O:40])[CH2:41][CH2:42][c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1>>[c:2]1(-[c:46]2[cH:45][cH:44][c:43]([CH2:42][CH2:41][C:39]([O:38][CH2:36][CH3:37])=[O:40])[cH:48][cH:47]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1

Participants

3

Reactant 2

HCID 38517004-(2-Ethoxycarbonylethyl)benzeneboronic acidHCID 593054905-{4-[2-(4-Bromo-benzyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxide

Product 1

HCID 593054493-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-80035158ed2749d5ace26d3fd59db20b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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