5-((Tert-butoxycarbonyl)amino)-2-(2-fluorophenyl)thiazole-4-carboxylic acid → tert-butyl N-[4-[[1-cyclopropyl-5-[4-[(2,2,2-trifluoroacetyl)amino]azepan-1-yl]pyrazol-4-yl]carbamoyl]-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate

HRID 673633Notes

Reaction equation

HRID 673633 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([C:46](=[O:47])[OH:48])[n:36][c:37](-[c:39]2[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]2)[s:38]1.[CH:1]1([n:4]2[n:5][cH:6][c:7]([N+:23]([O-:24])=[O:25])[c:8]2[N:9]2[CH2:10][CH2:11][CH:12]([NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:13][CH2:14][CH2:15]2)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[n:5][cH:6][c:7]([NH:23][C:46]([c:35]3[c:34]([NH:33][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[s:38][c:37](-[c:39]4[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]4)[n:36]3)=[O:47])[c:8]2[N:9]2[CH2:10][CH2:11][CH:12]([NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:13][CH2:14][CH2:15]2)[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 674367135-((Tert-butoxycarbonyl)amino)-2-(2-fluorophenyl)thiazole-4-carboxylic acidHCID 87400629N-[1-(2-cyclopropyl-4-nitropyrazol-3-yl)azepan-4-yl]-2,2,2-trifluoroacetamide

Product 1

HCID 87400431tert-butyl N-[4-[[1-cyclopropyl-5-[4-[(2,2,2-trifluoroacetyl)amino]azepan-1-yl]pyrazol-4-yl]carbamoyl]-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate

Sources & evidence

ORD record
ord-8566543940cf4396b7de78f688ed0ccf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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