HRID1128790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=S(=O)(CCN1CCC(Cc2ccccc2)C(O)C1)c1ccc(O)cc1

HCID9820994

未命名化合物

HCID22450243

3-{[(tert-Butoxycarbonyl)(methyl)amino]methyl}benzoic acid

C14H19NO4

PRODUCTS

生成物

结构：CN(Cc1cccc(C(=O)Oc2ccc(S(=O)(=O)CCN3CCC(Cc4ccccc4)C(O)C3)cc2)c1)C(=O)OC(C)(C)C

HCID178482782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a829af097254c3c8410e497c1a74974
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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