HRID1240576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID18374

1,4-Diaminocyclohexane

C6H14N2

HCID66937120

未命名化合物

PRODUCTS

生成物

结构：CCc1ncc(-c2cc(NC3CCC(N)CC3)ncc2Cl)nc1NCC1CCOCC1

HCID68405477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-091fbd3e909d434bb10ffbba14205c96
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41]([CH3:42])=[O:43].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH2:23][CH3:24])[c:13]([NH:15][CH2:16][CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14]2)[cH:4][c:5]([F:8])[n:6][cH:7]1.[NH2:25][CH:26]1[CH2:27][CH2:28][CH:29]([NH2:32])[CH2:30][CH2:31]1>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH2:23][CH3:24])[c:13]([NH:15][CH2:16][CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14]2)[cH:4][c:5]([NH:25][CH:26]2[CH2:27][CH2:28][CH:29]([NH2:32])[CH2:30][CH2:31]2)[n:6][cH:7]1