HRID2143538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4721137

N-(3-methoxybenzyl)cyclopropanamine

C11H15NO

反应SMILES：CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3ncccc3c2)cc1

HCID58978463

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(CN(C(=O)CN(c2ccc3ncccc3c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c1

HCID58978350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-575f810c46e6453aabf4f8f9bb05ef40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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