HRID1571275

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

HCID57826512

未命名化合物

HCID76708923

未命名化合物

PRODUCTS

生成物

结构：Cc1sc(C(=O)NC(Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C

HCID178435081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f02127c850db417b8255ff09b756af91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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