HRID2326622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID2782448

1-[3-(trifluoromethyl)phenyl]ethanamine

C9H10F3N

HCID2821350

2-{[2-(Benzenesulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid

C14H13NO4S2

PRODUCTS

生成物

结构：CC(NC(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1

HCID25221519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c4796a2665d473097d91f7017eaa11d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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