HRID691408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

HCID57826512

未命名化合物

结构：NC(Cc1cccc(C(F)(F)F)c1)CN1C(=O)c2ccccc2C1=O

HCID178510801

未命名化合物

PRODUCTS

生成物

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

HCID178435078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f70bfd41aba42949ef53a46c12a03d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:50]([Cl:51])([Cl:52])[Cl:53].[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]([C:37]([F:38])([F:39])[F:40])[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]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[s:6]1