HRID138505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7912

Diisopropylamine

C6H15N

HCID117787

Cyclopropanemethanamine, N-propyl-

C7H15N

结构：COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ncn2)c(C)c1

HCID59447107

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1

HCID25183069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84ce168a9eba44eaa69c7e876cec732c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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