HRID143579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID136187

2,2-Difluoroethanol

C2H4F2O

HCID4574913

未命名化合物

结构：Cn1c(C(C)(C)C)cc(=NC(=O)c2cc(C(F)(F)F)ccc2F)n1CC1CCCO1

HCID178480271

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(C)(C)C)cc(=NC(=O)c2cc(C(F)(F)F)ccc2OCC(F)F)n1CC1CCCO1

HCID178480288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e275d4df55254ffd983b789ecb83dd5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18]([c:19]2[c:20]([F:29])[cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]2)=[O:30])[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[F:31][CH:32]([CH2:33][OH:34])[F:35].[Na+:41].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18]([c:19]2[c:20]([O:34][CH2:33][CH:32]([F:31])[F:35])[cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]2)=[O:30])[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10]