HRID683682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

结构：Cc1csc(-c2nn(CC(=O)O)c(=O)n2CC(C)C)c1Cl

HCID58012061

未命名化合物

PRODUCTS

生成物

结构：Cc1csc(-c2nn(CC(=O)NCc3ccccc3C(F)(F)F)c(=O)n2CC(C)C)c1Cl

HCID58011949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae1d98cbf3e84081be0702afab3a74ed
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

[CH2:44]([Cl:45])[CH2:46][Cl:47].[Cl-:50].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]([CH2:18][C:19](=[O:20])[OH:21])[c:11](=[O:17])[n:12]2[CH2:13][CH:14]([CH3:15])[CH3:16])[s:4][cH:5][c:6]1[CH3:7].[ClH:48].[F:22][C:23]([c:24]1[c:25]([CH2:26][NH2:27])[cH:28][cH:29][cH:30][cH:31]1)([F:32])[F:33].[Na+:49].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]([CH2:18][C:19](=[O:21])[NH:27][CH2:26][c:25]3[c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30][cH:29][cH:28]3)[c:11](=[O:17])[n:12]2[CH2:13][CH:14]([CH3:15])[CH3:16])[s:4][cH:5][c:6]1[CH3:7]