HRID2310403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19627168

未命名化合物

HCID178524954

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(Oc2ccc(F)cc2NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1

HCID178480500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5da4b82f3ab3474c9ed860e3982b0c9c
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

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