HRID686714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24813

Phosphoric trichloride

Cl3OP

结构：CNC(=O)c1c2cc(C3CC3)c(N(CCCN3C(=O)c4ccccc4C3=O)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1

HCID69248953

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c2cc(C3CC3)c(N(CCCN)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1

HCID67513022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77c2a7d5b08c464abdb3b5b1f45db6c4
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

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