HRID1555688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)Cc1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1F

HCID69074012

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C#Cc2ccc(CC(=O)O)c(F)c2)cc2c1C(N(C)C1CC1)CCC2(C)C

HCID21107177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-100be32a28964157811d3601b6bd2c0d
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

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