HRID1230058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID70517

1-(4-Pyridyl)piperazine

C9H13N3

反应SMILES：Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CBr)cc2)cc1

HCID16637184

N-[4-(Bromoacetyl)phenyl]-4-methylbenzene-1-sulfonamide

C15H14BrNO3S

PRODUCTS

产物

反应SMILES：Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CN3CCN(c4ccncc4)CC3)cc2)cc1

HCID18918408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51b2f314bab14896a42d32e178cd2e36
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

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