HRID1540135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID83242

4-Phenylbutylamine

C10H15N

结构：Cc1ccc(S(=O)(=O)OCC2COc3ccc4[nH]c(=O)[nH]c4c3O2)cc1

HCID10292916

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccc3c(c2[nH]1)OC(CNCCCCc1ccccc1)CO3

HCID10155038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1310721e47c747f29dab25b031934255
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

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:17][cH:18][c:19]4[c:20]3[nH:21][c:22](=[O:24])[nH:23]4)[O:25][CH2:26]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:38][S:39]([CH3:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[c:27]1([CH2:33][CH2:34][CH2:35][CH2:36][NH2:37])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:12]([CH:13]1[O:14][c:15]2[c:16]([cH:17][cH:18][c:19]3[c:20]2[nH:21][c:22](=[O:24])[nH:23]3)[O:25][CH2:26]1)[NH:37][CH2:36][CH2:35][CH2:34][CH2:33][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1