HRID1119215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID24247

Perchloric acid

HClO4

结构：COc1ccc(F)cc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

HCID59836165

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

HCID178491796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cdf9f1d60e84a2681aa2502e5942fd5
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

[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[cH:20][c:21]4[c:22]([n:23][cH:24]3)[n:25]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[n:26][c:27]4-[c:28]3[c:29]([O:35][CH3:36])[cH:30][cH:31][c:32]([F:34])[cH:33]3)[cH:16][cH:17][cH:18]2)[CH2:9][CH2:10]1)[CH3:45].[CH3:53][OH:54].[Cl+3:48]([OH:49])([O-:50])([O-:51])[O-:52].[Na+:47].[OH-:46]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[cH:20][c:21]4[c:22]([n:23][cH:24]3)[nH:25][n:26][c:27]4-[c:28]3[c:29]([O:35][CH3:36])[cH:30][cH:31][c:32]([F:34])[cH:33]3)[cH:16][cH:17][cH:18]2)[CH2:9][CH2:10]1)[CH3:45]