HRID171895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C1CCC(C)(O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID54329089

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(C(=O)O1)N(S(=O)(=O)c1ccc(OCc3ccccc3)cc1)C2

HCID17967911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21c69971415246bdadf3b2e994a24ac7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:20][cH:21]2)[CH2:7][C:8]([CH3:11])([OH:12])[CH2:9][CH2:10]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[O:2]=[C:3]1[CH:5]2[N:6]([S:13](=[O:14])(=[O:15])[c:16]3[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[CH2:7][C:8]([CH3:11])([CH2:9][CH2:10]2)[O:12]1