HRID677054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

HCID96650

3-Piperidinone, 1-(phenylmethyl)-

C12H15NO

HCID258564

1-Acetyl-6-aminoindoline

C10H12N2O

结构：CC(=O)N1CCc2ccc(NC3CCCN(Cc4ccccc4)C3)cc21

HCID69210895

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21

HCID69209232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2289c11ad7245a695baaf1b4e9370bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:41]([N:42]1[c:43]2[c:44]([cH:45][cH:46][c:47]([NH2:48])[cH:49]2)[CH2:50][CH2:51]1)(=[O:52])[CH3:53].[C:54]([OH:55])(=[O:56])[CH3:57].[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)(=[O:67])[Cl:68].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH:14][c:15]2[cH:16][cH:17][c:18]3[c:22]([cH:23]2)[N:21]([C:24]([CH3:25])=[O:26])[CH2:20][CH2:19]3)[CH2:11][CH2:12][CH2:13]1.[CH2:27]([N:28]1[CH2:29][CH2:30][CH2:31][C:32](=[O:33])[CH2:34]1)[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:69][CH2:70][CH2:71][Cl:72]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([N:14]([c:15]2[cH:16][cH:17][c:18]3[c:22]([cH:23]2)[N:21]([C:24]([CH3:25])=[O:26])[CH2:20][CH2:19]3)[C:58]([CH:59]=[CH:60][c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)=[O:67])[CH2:11][CH2:12][CH2:13]1