HRID679533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID12251

Methoxyacetic acid

C3H6O3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15980821

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1

HCID57722750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77756364a7d045f386052374b536dcd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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