HRID2124326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F

HCID68598357

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F

HCID68596550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-122bf2ec97b446e7b2e6cb3ecedae2d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:39][CH2:40][OH:41].[Na+:38].[O:1]=[C:2]1[N:3]([CH2:22][c:23]2[cH:24][c:25]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:26]([C:28]([F:29])([F:30])[F:31])[o:27]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[c:14]2[cH:15][c:16]2[c:17]([cH:21]1)[O:18][CH2:19][O:20]2.[OH-:37].[OH2:42]>>[O:1]=[C:2]1[N:3]([CH2:22][c:23]2[cH:24][c:25]([C:32](=[O:33])[OH:34])[c:26]([C:28]([F:29])([F:30])[F:31])[o:27]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[c:14]2[cH:15][c:16]2[c:17]([cH:21]1)[O:18][CH2:19][O:20]2