HRID1548449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID62406

未命名化合物

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3N)ccc2c1

HCID15463638

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3NS(=O)(=O)C(F)(F)F)ccc2c1

HCID9958907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0efba53e588d4aa28fac9a030d88001b
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

[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20](-[c:25]3[c:26]([NH2:27])[cH:28][cH:29][cH:30][cH:31]3)[n:21][c:22]2[cH:23][cH:24]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:47][C:48](=[O:49])[OH:50].[CH:51]([Cl:52])([Cl:53])[Cl:54].[OH:39][S:40](=[O:41])(=[O:42])[C:43]([F:44])([F:45])[F:46]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20](-[c:25]3[c:26]([NH:27][S:40](=[O:39])(=[O:41])[C:43]([F:44])([F:45])[F:46])[cH:28][cH:29][cH:30][cH:31]3)[n:21][c:22]2[cH:23][cH:24]1