HRID1113111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID50989707

3-(3-Amino-1H-pyrazol-1-yl)propan-1-ol

C6H11N3O

结构：O=C1CCC(CC(C(=O)O)c2cccc(C(F)(F)F)c2)C1

HCID178516019

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(CC(C(=O)Nc2ccn(CCCO)n2)c2cccc(C(F)(F)F)c2)C1

HCID77237337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83925ae20b1c443a969b7d134e97ffda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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