HRID2315518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

结构：CNC(=O)C1(N(C)Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CNC1

HCID57979873

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C1(N(C)Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CN(C)C1

HCID57979846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23450fc47c874e61b9e1324dc9baa16e
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:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH2:34]=[O:35].[CH3:59][C:60](=[O:61])[OH:62].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH:28][CH3:29])[CH2:23][NH:24][CH2:25]4)[CH3:30])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1.[Cl:63][CH2:64][CH2:65][Cl:66].[ClH:1].[Na+:58]>>[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH:28][CH3:29])[CH2:23][N:24]([CH3:36])[CH2:25]4)[CH3:30])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1