HRID668251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID178418339

Butyllithium

C4H9Li

结构：CC(=O)Oc1c(C(C)(C)C)cc2c(c1C(C)(C)C)CC(C)(COc1ccc(C=NNC(=N)N)cc1)O2

HCID178475395

未命名化合物

PRODUCTS

生成物

结构：CC1(COc2ccc(C=NNC(=N)N)cc2)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1

HCID178431197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed1a6ce2ac7e47a39001754299d9816c
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

[C:1](=[O:2])([CH3:3])[O:4][c:5]1[c:6]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:7][c:8]2[c:9]([c:28]1[C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:10][C:11]([CH3:13])([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]=[N:21][NH:22][C:23](=[NH:24])[NH2:25])[cH:26][cH:27]1)[O:12]2.[CH2:37]([Li:38])[CH2:39][CH2:40][CH3:41].[Cl-:42].[NH4+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[OH:4][c:5]1[c:6]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:7][c:8]2[c:9]([c:28]1[C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:10][C:11]([CH3:13])([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]=[N:21][NH:22][C:23](=[NH:24])[NH2:25])[cH:26][cH:27]1)[O:12]2