Hydroxide → {4'-[3-(Propane-2-sulfonylamino)-thiophen-2-yl]-biphenyl-4-yloxy}-acetic acid

HRID 111639

Reaction equation

HRID 111639 reaction equation
[Ba+2:53].[Br:13][c:14]1[cH:15][cH:16][c:17]([O:18][CH2:19][C:20]([OH:21])=[O:22])[cH:23][cH:24]1.[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36](-[c:39]3[s:40][cH:41][cH:42][c:43]3[NH:44][S:45](=[O:46])(=[O:47])[CH:48]([CH3:49])[CH3:50])[cH:37][cH:38]2)[O:51]1.[Cl:55][CH2:56][Cl:57].[I:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[OH-:52].[OH-:54].[OH2:58]>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36](-[c:39]3[s:40][cH:41][cH:42][c:43]3[NH:44][S:45](=[O:46])(=[O:47])[CH:48]([CH3:49])[CH3:50])[cH:37][cH:38]2)[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 961Hydroxide2×HCID 962WaterHCID 6344DichloromethaneHCID 74657p-Bromophenoxyacetic acidHCID 746584-Iodophenoxyacetic acidHCID 104810Barium ionHCID 59747992Propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide

Product 1

HCID 69253225{4'-[3-(Propane-2-sulfonylamino)-thiophen-2-yl]-biphenyl-4-yloxy}-acetic acid

Sources & evidence

ORD record
ord-1f9bbc75942047d0abf15b67960e01e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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