HRID160817

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID66967082

未命名化合物

HCID66967084

Methyl(2-methylbenzofuran-3-ylmethyl)amine

C11H13NO

PRODUCTS

生成物

结构：Cc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc(N)c(C(C)(C)O)c1

HCID66967444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-893535152c8e43399622315de45a1cdd
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].[CH3:32][NH:33][CH2:34][c:35]1[c:36]([CH3:44])[o:37][c:38]2[c:39]1[cH:40][cH:41][cH:42][cH:43]2.[ClH:5].[NH2:6][c:7]1[c:8]([C:18]([CH3:19])([CH3:20])[OH:21])[cH:9][c:10]([CH:13]=[CH:14][C:15](=[O:16])[OH:17])[cH:11][n:12]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[NH2:6][c:7]1[c:8]([C:18]([CH3:19])([CH3:20])[OH:21])[cH:9][c:10]([CH:13]=[CH:14][C:15](=[O:17])[N:33]([CH3:32])[CH2:34][c:35]2[c:36]([CH3:44])[o:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[cH:11][n:12]1