HRID1554814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID21097495

未命名化合物

HCID21097526

N-[4-(Aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S

PRODUCTS

生成物

结构：COCCOc1cc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)ccc1C(C)(C)C

HCID21097455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3025ee168b4a4198a3f8412c24727c66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[C:21]([n:22]1[cH:23][cH:24][n:25][cH:26]1)([n:27]1[cH:28][cH:29][n:30][cH:31]1)=[O:32].[CH2:48]([N:49]([CH2:50][CH3:51])[CH2:52][CH3:53])[CH3:54].[ClH:33].[NH2:34][CH2:35][c:36]1[cH:37][c:38]([F:47])[c:39]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:40][cH:41]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:7][c:8]([O:9][CH2:10][C:11](=[O:13])[NH:34][CH2:35][c:36]2[cH:37][c:38]([F:47])[c:39]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:40][cH:41]2)[cH:14][cH:15]1