HRID2318033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59536795

未命名化合物

结构：O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(C=CC(F)(F)F)c1=O

HCID66778393

未命名化合物

PRODUCTS

生成物

结构：NC(=O)OCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C=CC(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1

HCID72319446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61d9f12040b14498b4d74394eaffd487
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:25]([NH2:26])([O:27][CH2:28][CH:29]([c:30]1[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]1)[NH2:40])=[O:41].[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][C:21](=[O:22])[OH:23])[c:11](=[O:19])[n:12]2[CH:13]=[CH:14][C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1.[ClH:24].[ClH:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][C:21](=[O:22])[NH:40][CH:29]([CH2:28][O:27][C:25]([NH2:26])=[O:41])[c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[c:11](=[O:19])[n:12]2[CH:13]=[CH:14][C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1