HRID1116288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID68728527

未命名化合物

结构：NS(=O)(=O)N=C(Nc1cccc(Br)c1)Oc1ccccc1

HCID68729453

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCN(C(=NS(N)(=O)=O)Nc4cccc(Br)c4)C(C)C3)c12

HCID68784225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd1ff2042484eccaacd435fc857392b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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