HRID695571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID437234

1-Pyridin-3-yl-piperazine

C9H13N3

HCID12418509

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

C8H6ClNO

HCID21905955

5-Chloro-3-hydroxy-3-(2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one

C15H12ClNO3

PRODUCTS

生成物

结构：COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)Nc2ccc(Cl)cc21

HCID68906359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eba348b61ca4425ea213b123aa3921e0
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

[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[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:22]1[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]1)[OH:30].[Cl:53][CH:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[NH:61][C:62]1=[O:63].[Cl:64][CH2:65][Cl:66].[Cl:67][CH2:68][Cl:69].[ClH:52].[S:7]([Cl:8])([Cl:9])=[O:10].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1.[n:40]1[cH:41][c:42]([N:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:43][cH:44][cH:45]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:22]1[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]1)[N:49]1[CH2:48][CH2:47][N:46]([c:42]2[cH:41][n:40][cH:45][cH:44][cH:43]2)[CH2:51][CH2:50]1