HRID2149006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID70517

1-(4-Pyridyl)piperazine

C9H13N3

HCID12418509

3-Chloro-1,3-dihydro-2H-indol-2-one

C8H6ClNO

结构：COc1ccc(C2(O)C(=O)Nc3ccc(Cl)cc32)c(OC)c1

HCID21905902

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(N3CCN(c4ccncc4)CC3)C(=O)Nc3ccc(Cl)cc32)c(OC)c1

HCID68427968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e176343ba84d36aaa4393b31190633
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:11][c:12]1[cH:13][c:14]2[c:18]([cH:19][cH:20]1)[NH:17][C:16](=[O:21])[C:15]2([OH:22])[c:23]1[c:24]([O:31][CH3:32])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1.[Cl:45][CH:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[NH:53][C:54]1=[O:55].[Cl:56][CH2:57][Cl:58].[OH2:64].[S:7]([Cl:8])([Cl:9])=[O:10].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1.[n:33]1[cH:34][cH:35][c:36]([N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[cH:37][cH:38]1>>[Cl:11][c:12]1[cH:13][c:14]2[c:18]([cH:19][cH:20]1)[NH:17][C:16](=[O:21])[C:15]2([c:23]1[c:24]([O:31][CH3:32])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[N:42]1[CH2:41][CH2:40][N:39]([c:36]2[cH:35][cH:34][n:33][cH:38][cH:37]2)[CH2:44][CH2:43]1