Methanol → (6-{4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-benzo[b]thiophen-3-yl)-acetic acid

HRID 1118428Notes

Reaction equation

HRID 1118428 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]2[c:8]([s:9][cH:10]1)[cH:11][c:12](-[c:15]1[c:16]([CH3:39])[cH:17][c:18]([O:21][CH2:22][c:23]3[n:24](-[c:31]4[c:32]([Cl:38])[cH:33][cH:34][cH:35][c:36]4[Cl:37])[n:25][cH:26][c:27]3[CH:28]([CH3:29])[CH3:30])[cH:19][cH:20]1)[cH:13][cH:14]2)=[O:40].[CH3:48][OH:49].[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:41]>>[O:3]=[C:4]([CH2:5][c:6]1[c:7]2[c:8]([s:9][cH:10]1)[cH:11][c:12](-[c:15]1[c:16]([CH3:39])[cH:17][c:18]([O:21][CH2:22][c:23]3[n:24](-[c:31]4[c:32]([Cl:38])[cH:33][cH:34][cH:35][c:36]4[Cl:37])[n:25][cH:26][c:27]3[CH:28]([CH3:29])[CH3:30])[cH:19][cH:20]1)[cH:13][cH:14]2)[OH:40]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67527663HCID 67527663, compound

Product 1

HCID 57443371(6-{4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-benzo[b]thiophen-3-yl)-acetic acid

Sources & evidence

ORD record
ord-12df75bd3b084421b9f07e69b91defcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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