HRID204868

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)c1cc(OC)c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)cc1F

HCID58015164

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)O)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61797db46cd94fc7a9a1a6ba36dba37a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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