HRID1547400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

HCID22507737

(4-Methylpiperidin-4-yl)methanol

C7H15NO

2 次

结构：COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(C=O)cc4)C3)o2)cc1

HCID58043089

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCC(C)(CO)CC5)cc4)C3)o2)cc1

HCID56598930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b71eaa21ccf4ff29d2dcf139508625c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1.[CH3:30][C:31]1([CH2:37][OH:38])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:62][C:63]1([CH2:64][OH:65])[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]1.[CH3:74][OH:75].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:71][CH2:72][Cl:73].[ClH:29].[Na+:61]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][cH:23][c:24]([CH2:25][N:34]5[CH2:33][CH2:32][C:31]([CH3:30])([CH2:37][OH:38])[CH2:36][CH2:35]5)[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1