HRID1562949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

HCID54082355

未命名化合物

结构：O=S(=O)(c1cc2ccccc2[nH]1)N1CCN(c2ccccc2Cl)CC1

HCID67595555

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c3ccccc23)cc1

HCID67691892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a138de658830429583a170e9573bffad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48](=[O:49])([OH:50])[O-:51].[CH2:66]([Cl:67])[Cl:68].[CH3:26][O:27][CH2:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH:34]([c:35]2[cH:36][cH:37][c:38]([O:41][CH2:42][O:43][CH3:44])[cH:39][cH:40]2)[OH:45])[cH:46][cH:47]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH:59]([O:60][CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[nH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[cH:25]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:52]>>[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[nH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]3[CH:34]([c:33]3[cH:32][cH:31][c:30]([O:29][CH2:28][O:27][CH3:26])[cH:47][cH:46]3)[c:35]3[cH:36][cH:37][c:38]([O:41][CH2:42][O:43][CH3:44])[cH:39][cH:40]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1