HRID201351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID2777882

4-(Trifluoromethylthio)benzyl bromide

C8H6BrF3S

HCID18426216

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(Cl)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1

HCID18426244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8614367a5644b1690d2c860cc161837
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

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