HRID811073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2760368

3-Phenylbenzylamine

C13H13N

反应SMILES：COc1cc(C=CC(=O)O)ccc1-n1cnc(C)c1

HCID66839516

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C=CC(=O)NCc2cccc(-c3ccccc3)c2)ccc1-n1cnc(C)c1

HCID66960736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-41a6de05399b4116a5c4a7e01ae9bdd4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:6][O:7][c:8]1[cH:9][c:10]([CH:20]=[CH:21][C:22](=[O:23])[OH:24])[cH:11][cH:12][c:13]1-[n:14]1[cH:15][n:16][c:17]([CH3:19])[cH:18]1.[ClH:25].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:56].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1.[c:26]1(-[c:32]2[cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38][cH:39]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:6][O:7][c:8]1[cH:9][c:10]([CH:20]=[CH:21][C:22](=[O:24])[NH:36][CH2:35][c:34]2[cH:33][c:32](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:39][cH:38][cH:37]2)[cH:11][cH:12][c:13]1-[n:14]1[cH:15][n:16][c:17]([CH3:19])[cH:18]1