HRID1122450

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：Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

HCID10501957

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl

HCID10158806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49722fc8cf3347dea126e2474f6b1541
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:28]([B:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH3:34].[CH3:36][C:37](=[O:38])[O-:39].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10](-[c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][c:7]1[CH3:8].[NH2:40][O:41][S:42]([OH:43])(=[O:44])=[O:45].[Na+:35].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10](-[c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH2:40])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][c:7]1[CH3:8]