Chloride → 3-Hydroxy-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic Acid Methyl Ester

HRID 1548080Notes

Reaction equation

HRID 1548080 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH2:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH:13]([CH3:14])[CH3:15])[CH3:16].[CH3:17][c:18]1[c:19]([CH2:29][CH2:30][O:31][c:32]2[cH:33][cH:34][c:35]([CH:41]=[O:42])[c:36]3[s:37][cH:38][cH:39][c:40]23)[n:20][c:21](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[o:22]1.[CH3:1][O:2][C:3]([CH2:4][O:5][CH3:6])=[O:7].[Cl-:52].[Cl-:53].[Cl-:54].[Cl-:55].[Cl:49][CH2:50][Cl:51].[OH2:43].[Ti+4:56]>>[CH3:1][O:2][C:3]([CH:4]([O:5][CH3:6])[CH:41]([c:35]1[cH:34][cH:33][c:32]([O:31][CH2:30][CH2:29][c:19]2[c:18]([CH3:17])[o:22][c:21](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:20]2)[c:40]2[c:36]1[s:37][cH:38][cH:39]2)[OH:42])=[O:7]

Participants

9

Reactant 8

HCID 312Chloride4×HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 80507Methyl methoxyacetateHCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)HCID 111759364-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophene-7-carbaldehyde

Product 1

HCID 589954383-Hydroxy-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic Acid Methyl Ester

Sources & evidence

ORD record
ord-a558d59f22b343369b8b67cb8abcec25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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