HRID188781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID104477

N,N,2,2-Tetramethylpropane-1,3-diamine

C7H18N2

结构：CSc1nccc(Oc2ccc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)c3ccccc23)n1

HCID59553070

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(C)(C)CNc1nccc(Oc2ccc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)c3ccccc23)n1

HCID59553290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9cc12a12bf4a7f9da2e1863d1382cd
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

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