HRID112628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7357

Triethylborane

C6H15B

HCID8028

Tetrahydrofuran

C4H8O

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

结构：Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1

HCID10809855

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1

HCID9842937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b43c59531534ba0b386a17b5162779c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:27]([B:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][c:2]1[cH:3][n:4][cH:5][c:6](-[c:8]2[n:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:7]1.[CH3:35][C:36](=[O:37])[O-:38].[NH2:39][O:40][S:41]([OH:42])(=[O:43])=[O:44].[Na+:34].[OH2:50]>>[CH3:1][c:2]1[cH:3][n:4][cH:5][c:6](-[c:8]2[n:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[NH2:39])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:7]1