HRID1549772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID22599

Benzoic acid, 4-(bromomethyl)-

C8H7BrO2

HCID24386

Thionyl chloride

Cl2OS

HCID5068289

4-(bromomethyl)benzoyl Chloride

C8H6BrClO

反应SMILES：COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC

HCID11594543

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

C17H16N2O3

HCID21890776

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(CBr)cc4)cc3)c2cc1OC

HCID21890304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ab5a8e3244e6492d92a714d314baff59
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

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