HRID180359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID3864405

3-(Bromomethyl)biphenyl

C13H11Br

结构：CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2

HCID58409094

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN(Cc1cccc(-c2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2

HCID67332759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7a67e7abbca493b86b9d6177d1109e8
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:25][CH2:26][c:27]1[cH:28][c:29](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:30][cH:31][cH:32]1.[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[NH:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:8][c:9]2[CH2:10][CH2:11]1.[CH3:39][C:40]#[N:41]>>[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]([CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:26][c:27]3[cH:28][c:29](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30][cH:31][cH:32]3)[cH:8][c:9]2[CH2:10][CH2:11]1