HRID120232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID408285

2-Morpholinoethylamine

C6H14N2O

反应SMILES：O=C(O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

HCID69635678

3-({1-[Bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)benzoic acid

C25H21Cl2NO4S

PRODUCTS

产物

反应SMILES：O=C(NCCN1CCOCC1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

HCID69635661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-11721b8dc79840bba860490cf9212401
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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