HRID2160781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CS(=O)(=O)OCc1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

HCID58092098

未命名化合物

PRODUCTS

生成物

结构：NCc1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

HCID58092109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5a5cc753ebb4928a6d4c0ec09eb95c3
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

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][S:2]([O:3][CH2:6][c:7]1[c:8]([Br:30])[cH:9][c:10]([C:13]2=[N:17][CH2:16][C:15]([C:18]([F:19])([F:20])[F:21])([c:22]3[cH:23][c:24]([Cl:29])[cH:25][c:26]([Cl:28])[cH:27]3)[CH2:14]2)[cH:11][cH:12]1)(=[O:4])=[O:5].[CH3:32][OH:33].[CH3:34][O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[NH3:31]>>[CH2:6]([c:7]1[c:8]([Br:30])[cH:9][c:10]([C:13]2=[N:17][CH2:16][C:15]([C:18]([F:19])([F:20])[F:21])([c:22]3[cH:23][c:24]([Cl:29])[cH:25][c:26]([Cl:28])[cH:27]3)[CH2:14]2)[cH:11][cH:12]1)[NH2:31]