HRID1145234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID67271653

未命名化合物

结构：CC(NCc1nc2ccccc2n1COCC[Si](C)(C)C)c1ccccn1

HCID67272285

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccn1)N(Cc1cscc1CN1C(=O)c2ccccc2C1=O)Cc1nc2ccccc2n1COCC[Si](C)(C)C

HCID67272671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1da7baee39c1414fb0e7f637cfa575e1
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][CH2:2][c:3]1[c:4]([CH2:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[cH:5][s:6][cH:7]1.[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[n:20]1[c:21]([CH:26]([CH3:27])[NH:28][CH2:29][c:30]2[n:31][c:32]3[c:33]([n:34]2[CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44][cH:45][cH:46]3)[cH:22][cH:23][cH:24][cH:25]1>>[CH2:2]([c:3]1[c:4]([CH2:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[cH:5][s:6][cH:7]1)[N:28]([CH:26]([c:21]1[n:20][cH:25][cH:24][cH:23][cH:22]1)[CH3:27])[CH2:29][c:30]1[n:31][c:32]2[c:33]([n:34]1[CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44][cH:45][cH:46]2