4-(3,4-Dimethoxyphenyl)butanoic acid → HCID 24986391, compound

HRID 683260Notes

Reaction equation

HRID 683260 reaction equation
[CH2:48]([O:49][C:50](=[O:51])[CH2:52][S:53][c:54]1[s:55][c:56]([NH2:57])[n:58][cH:59]1)[CH3:60].[CH3:32][O:33][c:34]1[cH:35][c:36]([CH2:42][CH2:43][CH2:44][C:45]([OH:46])=[O:47])[cH:37][cH:38][c:39]1[O:40][CH3:41].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:7][cH:8][cH:9]1>>[CH2:10]([N:11]([C:12]([NH:13][c:14]1[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]1)=[O:24])[CH:25]1[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]1)[CH2:44][CH2:43][CH2:42][c:36]1[cH:35][c:34]([O:33][CH3:32])[c:39]([O:40][CH3:41])[cH:38][cH:37]1

Participants

4

Reactant 3

HCID 3236754-(3,4-Dimethoxyphenyl)butanoic acidHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 24991170{2-[3-[3-(3-Chloro-phenyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Product 1

HCID 24986391HCID 24986391, compound

Sources & evidence

ORD record
ord-4f629790ef6c41469fd1fd68d8b248f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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