HRID1562042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

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)CC2OCCOc2ccccc2CCn2ccnc2)cc1

HCID68501509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78890cf4f85649f19d4f5ae8be243ab1
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][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.[nH:57]1[cH:58][n:59][cH:60][cH:61]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:57]5[cH:58][n:59][cH:60][cH: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