HRID206113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID2734709

3-Fluoro-4-(trifluoromethyl)benzoyl chloride

C8H3ClF4O

HCID58964260

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Br)c1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1OCCN1CCCOCC1

HCID11556103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0153235c2ed2496bb0f8c18b4c262be8
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

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