HRID2145536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID30938

3-(2-Methylphenyl)propionic acid

C10H12O2

HCID11616363

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

C16H15N3O3

HCID13029201

未命名化合物

HCID21890701

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)CCc4ccccc4C)cc3)c2cc1OC

HCID21889957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aadc62b7e151438ab1dfd6ba13fe21b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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