HRID2156157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)C(F)(F)F)c4)nn4ccccc34)n2)c1

HCID86631085

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)c1

HCID57737166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fa5b574bde44dd1bf6adc97d5138444
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

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