HRID948361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)O

HCID67438198

5-[(tert-Butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

C15H14F2N2O4S

结构：CCn1ncc([N+](=O)[O-])c1N1CCCC(NC(=O)C(F)(F)F)CC1

HCID86658409

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2NC(=O)OC(C)(C)C)c1N1CCCC(NC(=O)C(F)(F)F)CC1

HCID86658424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c31e20c0384090b7b48d512b876272
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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