HRID90377

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

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CNC(=O)N3C(=O)OCc3ccccc3)CC2)c1

HCID67141135

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(=O)OCc3ccccc3)CC2)c1

HCID67142038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85c9f16e07d9498384caf0ba42bcd741
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

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