HRID134021

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

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID412889

2-Amino-4'-methoxyacetophenone

C9H11NO2

HCID66839516

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)CNC(=O)C=Cc2ccc(-n3cnc(C)c3)c(OC)c2)cc1

HCID67067189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-766d1ebe99464e1a9f4d0e06053acb2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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