HRID957546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1C(F)(F)F)C(=O)O

HCID4444636

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic Acid

C15H18F3NO4

HCID57826384

未命名化合物

HCID76708923

未命名化合物

PRODUCTS

生成物

结构：COc1sc(C(=O)NC(Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)cc1-c1c(Cl)cnn1C

HCID76576335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06c5caf485c14694bb3218355e86187f
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

[CH3:40][C:41]([O:42][C:43]([NH:44][CH:45]([C:46]([OH:47])=[O:48])[CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[C:56]([F:57])([F:58])[F:59])=[O:60])([CH3:61])[CH3:62].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[CH:72]([Cl:73])([Cl:74])[Cl:75].[Cl:1][c:2]1[cH:3][n:4][n:5]([CH3:17])[c:6]1-[c:7]1[cH:8][c:9]([C:14](=[O:15])[OH:16])[s:10][c:11]1[O:12][CH3:13].[NH2:18][CH:19]([CH2:20][N:21]1[C:22](=[O:31])[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[C:29]1=[O:30])[CH2:32][c:33]1[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]1>>[Cl:1][c:2]1[cH:3][n:4][n:5]([CH3:17])[c:6]1-[c:7]1[cH:8][c:9]([C:14](=[O:16])[NH:18][CH:19]([CH2:20][N:21]2[C:22](=[O:31])[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[C:29]2=[O:30])[CH2:32][c:33]2[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]2)[s:10][c:11]1[O:12][CH3:13]