HRID197556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID24386

Thionyl chloride

Cl2OS

HCID78101

2-Amino-3-methylbenzoic acid

C8H9NO2

HCID90262

4-Chloro-8-(trifluoromethyl)quinoline

C10H5ClF3N

结构：Cc1cccc(C(=O)Cl)c1Nc1ccnc2c(C(F)(F)F)cccc12

HCID20520131

未命名化合物

HCID20520150

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCN(CCC)C(=O)c1cccc(C)c1Nc1ccnc2c(C(F)(F)F)cccc12

HCID20520120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ec8e75178c49fbb1968008fbaa75e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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