HRID319931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2737383

5-Fluoro-2-methylbenzoyl chloride

C8H6ClFO

结构：COC(=O)C(CO)N(Cc1ccccc1N)S(=O)(=O)c1ccc(OC)cc1

HCID18612758

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)c2cc(F)ccc2C)c2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1

HCID18612872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbd19a77735e4595b32671880b8f7f2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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