HRID176935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID137860

6-Methylnicotinic acid

C7H7NO2

HCID11616363

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

C16H15N3O3

HCID21890458

6-Methylpyridine-3-carbonyl chloride

C7H6ClNO

HCID21891209

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)c4ccc(C)nc4)cc3)c2cc1OC

HCID21890664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cceeb8194ff46139c85312401e167c8
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

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