5-((Tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid → tert-butyl N-[4-[[1-(cyclopropylmethyl)-5-[4-[(2,2,2-trifluoroacetyl)amino]azepan-1-yl]pyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate

HRID 684632Notes

Reaction equation

HRID 684632 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][c:35]1[c:36]([C:48](=[O:49])[OH:50])[n:37][c:38](-[c:40]2[c:41]([F:47])[cH:42][cH:43][cH:44][c:45]2[F:46])[s:39]1.[CH:1]1([CH2:4][n:5]2[n:6][cH:7][c:8]([N+:24]([O-:25])=[O:26])[c:9]2[N:10]2[CH2:11][CH2:12][CH:13]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][n:5]2[n:6][cH:7][c:8]([NH:24][C:48]([c:36]3[c:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[s:39][c:38](-[c:40]4[c:41]([F:47])[cH:42][cH:43][cH:44][c:45]4[F:46])[n:37]3)=[O:49])[c:9]2[N:10]2[CH2:11][CH2:12][CH:13]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 674381985-((Tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acidHCID 87400651N-[1-[2-(cyclopropylmethyl)-4-nitropyrazol-3-yl]azepan-4-yl]-2,2,2-trifluoroacetamide

Product 1

HCID 87401127tert-butyl N-[4-[[1-(cyclopropylmethyl)-5-[4-[(2,2,2-trifluoroacetyl)amino]azepan-1-yl]pyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate

Sources & evidence

ORD record
ord-8bf9e074ecf74070aa27ae0929232fb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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