HRID1206506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID58565893

未命名化合物

HCID59438501

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC1(c2ccccc2)CCC2CCC1N2C

HCID54767440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2713e12cd0d94b4f85479c0058f9e025
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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