HRID2326086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID102020

3-(3-Thienyl)acrylic acid

C7H6O2S

结构：CC(=O)N1CCc2ccc(NC3CCN(Cc4ccccc4)CC3)cc21

HCID2761128

1-{6-[(1-Benzylpiperidin-4-yl)amino]-2,3-dihydro-1H-indol-1-yl}ethan-1-one

C22H27N3O

PRODUCTS

生成物

结构：CC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21

HCID69212107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b19acd44c024503a9184055df6fc6a0
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

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