HRID2319627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID19147

Benzoic acid, 4-octyl-

C15H22O2

HCID24386

Thionyl chloride

Cl2OS

HCID170865

Benzoyl chloride, 4-octyl-

C15H21ClO

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

HCID21890973

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1

HCID21890967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b49b6905b564e42a782f8f7ee66e1b9
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

[CH2:22]([c:23]1[cH:24][cH:25][c:26]([C:27]([Cl:28])=[O:29])[cH:30][cH:31]1)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH2:5]([c:6]1[cH:7][cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14]1)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].[CH2:61]([CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68])[c:69]1[cH:70][cH:71][c:72]([C:75](=[O:76])[N:77]=[C:78]=[S:79])[cH:73][cH:74]1.[CH3:39][O:40][c:41]1[cH:42][c:43]2[c:44]([O:53][c:54]3[cH:55][cH:56][c:57]([NH2:58])[cH:59][cH:60]3)[cH:45][cH:46][n:47][c:48]2[cH:49][c:50]1[O:51][CH3:52].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH3:87][CH2:88][OH:89].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:39][O:40][c:41]1[cH:42][c:43]2[c:44]([O:53][c:54]3[cH:55][cH:56][c:57]([NH:58][C:78]([NH:77][C:75]([c:72]4[cH:71][cH:70][c:69]([CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68])[cH:74][cH:73]4)=[O:76])=[S:79])[cH:59][cH:60]3)[cH:45][cH:46][n:47][c:48]2[cH:49][c:50]1[O:51][CH3:52]