HRID696914

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：Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1NC(=O)c1cc(Cl)ncn1

HCID59447084

未命名化合物

PRODUCTS

生成物

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

HCID68486490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613bed28f8fb4c05beaa2a52df42476a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:46][CH2:47][OH:48].[CH:31]([NH:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH:38]1([CH2:41][NH:42][CH2:43][CH2:44][CH3:45])[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:30])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:15][cH:16]2)[n:5][cH:6][n:7]1>>[c:2]1([N:42]([CH2:41][CH:38]2[CH2:39][CH2:40]2)[CH2:43][CH2:44][CH3:45])[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:30])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:15][cH:16]2)[n:5][cH:6][n:7]1