HRID2150118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID2724275

N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide

C9H18F3NOSi

结构：COCN1c2cc(C(O)c3cccc(Br)n3)ccc2Sc2nccnc21

HCID18670301

未命名化合物

PRODUCTS

生成物

结构：COCN1c2cc(C(O[Si](C)(C)C(C)(C)C)c3cccc(Br)n3)ccc2Sc2nccnc21

HCID18670524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0167c8caf686423dbbaf11f114de33ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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