HRID309913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID10356

3,5-Dimethylbenzoic acid

C9H10O2

HCID24386

Thionyl Chloride

Cl2OS

HCID21220201

未命名化合物

PRODUCTS

产物

HCID54506906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31e74b73fb1046668f71400c95afb557
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

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