HRID111370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12025

2-Pyrrolidinone

C4H7NO

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCOS(=O)(=O)c2ccc(C)cc2)cc1

HCID86609986

Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylate

C44H55NO10S

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCN2CCCC2=O)cc1

HCID68571695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95639710a62544829237fc66604d646e
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

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