HRID1221396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16776498

N-[(3-Methylphenyl)methyl]cyclopropanamine

C11H15N

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

HCID58978463

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CN(C(=O)CN(c2ccc3ncccc3c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c1

HCID58978330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a60605e3a83947afbfd81a521feb3b32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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]([CH3:40])[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:27])[N:32]([CH:29]2[CH2:30][CH2:31]2)[CH2:33][c:34]2[cH:35][c:36]([CH3:40])[cH:37][cH:38][cH:39]2)[cH:9][cH:10]1