HRID165453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID17772

S-Methyl carbonochloridothioate

C2H3ClOS

HCID81531

Diisopropylethylamine

C8H19N

HCID59852826

未命名化合物

PRODUCTS

生成物

结构：CSC(=O)NC(c1cccc(OCc2ccccc2)c1)c1nccnc1Cl

HCID58902032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11809882e7d841a18a4193c6c8df3643
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

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