HRID939113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(C)(C)c1ccc(C#Cc2cc(CN(C)C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1

HCID69074187

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cc(C#Cc2ccc(C(C)(C)C(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C)C1CC1

HCID11213316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247e47a2473544998fe331c00b659904
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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