HRID298555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

结构：O=C(O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

HCID45425844

未命名化合物

结构：Nc1cnc(Nc2ccc(S(=O)(=O)CCCN3CCCC3)cc2)nc1

HCID58748692

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnc(Nc2ccc(S(=O)(=O)CCCN3CCCC3)cc2)nc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

HCID24959996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-deac0ef245d04bf497bd118831427181
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Cl:23][c:24]1[n:25][c:26]([O:27][CH3:28])[n:29][c:30]([O:31][CH3:32])[n:33]1.[Cl:66][CH2:67][Cl:68].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20]1)([F:21])[F:22].[N:41]1([CH2:46][CH2:47][CH2:48][S:49](=[O:50])(=[O:51])[c:52]2[cH:53][cH:54][c:55]([NH:58][c:59]3[n:60][cH:61][c:62]([NH2:65])[cH:63][n:64]3)[cH:56][cH:57]2)[CH2:42][CH2:43][CH2:44][CH2:45]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:12](=[O:14])[NH:65][c:62]3[cH:61][n:60][c:59]([NH:58][c:55]4[cH:54][cH:53][c:52]([S:49]([CH2:48][CH2:47][CH2:46][N:41]5[CH2:42][CH2:43][CH2:44][CH2:45]5)(=[O:50])=[O:51])[cH:57][cH:56]4)[n:64][cH:63]3)[cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20]1)([F:21])[F:22]