HRID173567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID69913

9-Oxofluoren-2-carboxylic acid

C14H8O3

HCID104095

1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

C14H22N2O3

PRODUCTS

生成物

结构：COc1cc(CN2CCN(C(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)CC2)cc(OC)c1OC

HCID14676168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2b645ec74334a96a9ccdcfcc2d67263
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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