HRID1548957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)O)s1

HCID21980165

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C(C)C)C(C)C)s1

HCID10238158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77187e9f34ec4b4ea8fbf439894b49cc
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

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