HRID1209007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID24247

Perchloric acid

HClO4

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12

HCID57975802

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12

HCID178489392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9825060fda84df482b3c8c458dacb68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:42][C:43](=[O:44])[OH:45].[Cl+3:37]([OH:38])([O-:39])([O-:40])[O-:41].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[n:18]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[n:19][c:20]3-[c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][c:10]1[CH3:11].[OH2:46]>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[nH:18][n:19][c:20]3-[c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][c:10]1[CH3:11]