HRID1135625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID80652

Benzenepropanoic acid, 2-methoxy-

C10H12O3

HCID11616363

4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]benzenamine

C16H15N3O3

HCID11789865

4-phenylbutanoyl chloride

C10H11ClO

HCID21890064

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CCC(=O)NC(=S)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1

HCID21890998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d7ae7c0588f421a9d78168ba6ff3b34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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