3-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid → HCID 24987109, compound

HRID 175261

Reaction equation

HRID 175261 reaction equation
[CH2:52]([O:53][C:54](=[O:55])[C:56]([S:57][c:58]1[s:59][c:60]([NH2:61])[n:62][cH:63]1)([CH3:64])[CH3:65])[CH3:66].[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9]([NH:10][c:11]2[s:12][c:13]([S:14][CH2:15][C:16]([CH3:17])([CH3:18])[C:19]([OH:20])=[O:21])[cH:22][n:23]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1.[NH2:36][c:37]1[s:38][c:39]([S:42][C:43]2([C:49](=[O:50])[OH:51])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:40][n:41]1>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9](=[O:24])[NH:36][c:37]2[s:38][c:39]([S:42][C:43]3([C:49](=[O:50])[OH:51])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[cH:40][n:41]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1

Participants

4

Reactant 3

HCID 249871013-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acidHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoateHCID 86639127HCID 86639127, compound

Product 1

HCID 24987109HCID 24987109, compound

Sources & evidence

ORD record
ord-9b2a9013a3f64c6d86119dc4b146b42e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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