HRID2325379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1099

Sulfite

O3S-2

结构：CC(Oc1ccc(S(=O)(=O)Cl)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1)C(F)(F)F

HCID76427894

未命名化合物

PRODUCTS

生成物

HCID923

Sodium ion

Na+

结构：CC(Oc1ccc(S(=O)[O-])cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1)C(F)(F)F

HCID72252651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f6630451d7c4d02a91bb42abfe23d7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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