HRID296793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID24247

Perchloric acid

HClO4

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(NC(=O)c4cn(C)cn4)c(C(=O)N(C)C)c3)cc12

HCID57975850

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1n[nH]c2ncc(-c3ccc(NC(=O)c4cn(C)cn4)c(C(=O)N(C)C)c3)cc12

HCID178489401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8847c830ce4c43819edde85bf2e570cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[c:6]([NH:36][C:37](=[O:38])[c:39]2[n:40][cH:41][n:42]([CH3:44])[cH:43]2)[cH:7][cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[n:17]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1)[CH3:45].[CH3:61][C:62](=[O:63])[OH:64].[Cl+3:46]([OH:47])([O-:48])([O-:49])[O-:50].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[c:6]([NH:36][C:37](=[O:38])[c:39]2[n:40][cH:41][n:42]([CH3:44])[cH:43]2)[cH:7][cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1)[CH3:45]