HRID696708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13041

Pentafluorophenol

C6HF5O

结构：O=C(NCCC(OC(=O)c1ccccc1)C(=O)O)OCc1ccccc1

HCID66997256

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCC(OC(=O)c1ccccc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCc1ccccc1

HCID76806438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5170fea78b3c4b1bbce32428f51454d1
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

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