HRID2158151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：O=S(=O)(Nc1cccc(C(O)c2c[nH]c3nccnc23)c1F)c1ccc(C(F)(F)F)cc1

HCID58001697

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2nccnc12

HCID44538880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31ab3dbd64414061a03b1e72196b7f5c
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

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