HRID139769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：CCCCNc1nc(N)nc(C)c1Cc1ccc(C(=O)OC)cc1OC

HCID68413361

未命名化合物

PRODUCTS

生成物

HCID68415232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92a9fc4fa8324d9db2670c0ab05822f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:52][CH2:53][Cl:54].[NH2:10][c:11]1[n:12][c:13]([CH3:35])[c:14]([CH2:22][c:23]2[c:24]([O:33][CH3:34])[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]2)[c:15]([NH:17][CH2:18][CH2:19][CH2:20][CH3:21])[n:16]1.[Na+:40].[Na+:41].[O-:42][S:43](=[O:44])(=[O:45])[O-:46]>>[NH2:10][c:11]1[n:12][c:13]([CH3:35])[c:14]([CH2:22][c:23]2[c:24]([O:33][CH3:34])[cH:25][c:26]([CH2:27][OH:28])[cH:31][cH:32]2)[c:15]([NH:17][CH2:18][CH2:19][CH2:20][CH3:21])[n:16]1