HRID176291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6329

Methylamine

CH5N

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID9935367

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCN(C)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c33df80700340a590993d9e6f657a75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1-[c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[NH:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]2)[cH:18][cH:19]1.[CH3:36][NH2:37].[OH2:38]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1-[c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][N:22]([C:23](=[O:24])[NH:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]2)[CH3:36])[cH:18][cH:19]1