HRID94100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19425273

未命名化合物

结构：O=C(O)Cn1cc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O

HCID58011727

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)Cn1cc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1cccc(C(F)(F)F)c1

HCID58012226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-221f596c91444140977d3ae3b2f88f21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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