ethyl 1H-pyrazole-4-carboxylate → 1-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 2133517Notes

Reaction equation

HRID 2133517 reaction equation
[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:28])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([C:24]#[C:25][CH2:26][OH:27])[cH:22][cH:23]2)=[O:29])[cH:4][cH:5][cH:6][cH:7]1.[nH:30]1[n:31][cH:32][c:33]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:34]1>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:28])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([C:24]#[C:25][CH2:26][n:31]3[n:30][cH:34][c:33]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32]3)[cH:22][cH:23]2)=[O:29])[cH:4][cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 70878238{5-[4-(3-Hydroxy-prop-1-ynyl)-phenyl]-3-methyl-isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester

Product 1

HCID 685336061-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-1H-pyrazole-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-a49eda1092e44d86aa7168a6d054f5ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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