HRID1548414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID15970

2-Thiopheneacetic acid

C6H6O2S

HCID24386

Thionyl chloride

Cl2OS

HCID162362

2-Thiopheneacetyl chloride

C6H5ClOS

HCID11616363

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

C16H15N3O3

HCID21890386

2-Thiopheneacetyl isothiocyanate

C7H5NOS2

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)Cc4cccs4)cc3)c2cc1OC

HCID21890556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14f5e7df734e4251a8076a7b30228090
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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