HRID95747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc2c(c(C(=O)O)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

HCID11516234

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)c1nc(C)cc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

HCID21948139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4add911ee174e7fbe71c6a760a2c9ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:30][NH:31][O:32][CH3:33].[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[Cl:55][CH2:56][Cl:57].[ClH:29].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:10]2[cH:11][c:12]([CH3:22])[n:13][c:14]([C:19](=[O:20])[OH:21])[c:15]2[c:16](=[O:18])[cH:17]1.[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:10]2[cH:11][c:12]([CH3:22])[n:13][c:14]([C:19](=[O:21])[N:31]([CH3:30])[O:32][CH3:33])[c:15]2[c:16](=[O:18])[cH:17]1