HRID682010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID24247

Perchloric acid

HClO4

结构：COc1cccc(OC)c1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

HCID59836145

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC)c1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

HCID178491342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ede2a52cf5f4834855895476516bce3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][n:13]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]([C:26](=[O:27])[N:28]5[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH2:32][CH2:33]5)[cH:23][cH:24][cH:25]4)[cH:18][c:19]23)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:54][C:55](=[O:56])[OH:57].[Cl+3:49]([OH:50])([O-:51])([O-:52])[O-:53].[Na+:48].[OH-:47]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][nH:13][c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]([C:26](=[O:27])[N:28]5[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH2:32][CH2:33]5)[cH:23][cH:24][cH:25]4)[cH:18][c:19]23)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1