Tetrahydrofuran → Ethyl 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylate

HRID 115440Notes

Reaction equation

HRID 115440 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:24][C:25](=[O:26])[OH:27])[c:9]([O:11][CH2:12][c:13]2[cH:14][c:15]([F:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:10]1.[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][CH:36]1[CH:37]([NH2:42])[CH2:38][CH2:39][CH2:40][CH2:41]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:24][C:25](=[O:26])[NH:42][CH:37]2[CH:36]([O:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:41][CH2:40][CH2:39][CH2:38]2)[c:9]([O:11][CH2:12][c:13]2[cH:14][c:15]([F:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:10]1

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 757711-HydroxybenzotriazoleHCID 40939022-Phenylmethoxycyclohexan-1-amineHCID 693640081-carboxymethyl-5-(3-fluoro-5-trifluoromethyl-benzyloxy)-1H-pyrazole-3-carboxylic acid ethyl ester

Product 1

HCID 21062962Ethyl 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylate

Sources & evidence

ORD record
ord-4aa7d94b05d64d8a9c743ec029014da0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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