HRID951481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID108661

Benzenamine, 3-chloro-4-(4-morpholinyl)-

C10H13ClN2O

反应SMILES：CC(NC(=O)c1cccc(Br)c1)c1cnc(S(C)(=O)=O)nn1

HCID58711953

未命名化合物

反应SMILES：CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(C(C)NC(=O)c3cccc(Br)c3)nn2)c1

HCID58712004

未命名化合物

PRODUCTS

产物

反应SMILES：CC(NC(=O)c1cccc(Br)c1)c1cnc(Nc2ccc(N3CCOCC3)c(Cl)c2)nn1

HCID58711988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8d04184712124cb996264520fe26d408
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8]([NH:9][CH:10]([c:11]2[n:12][n:13][c:14]([NH:15][c:16]3[cH:17][c:18]([S:19]([CH2:20][CH3:21])(=[O:22])=[O:23])[cH:24][cH:25][c:26]3[O:27][CH3:28])[n:29][cH:30]2)[CH3:31])=[O:32])[cH:5][cH:6][cH:7]1.[Br:33][c:34]1[cH:35][c:36]([C:37](=[O:38])[NH:39][CH:40]([CH3:41])[c:42]2[cH:43][n:44][c:45]([S:48]([CH3:49])(=[O:50])=[O:51])[n:46][n:47]2)[cH:52][cH:53][cH:54]1.[Cl:55][c:56]1[cH:57][c:58]([NH2:59])[cH:60][cH:61][c:62]1[N:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:69].[c:70]1([CH3:71])[cH:72][cH:73][c:74]([S:75]([OH:76])(=[O:77])=[O:78])[cH:79][cH:80]1>>[Br:33][c:34]1[cH:35][c:36]([C:37](=[O:38])[NH:39][CH:40]([CH3:41])[c:42]2[cH:43][n:44][c:45]([NH:59][c:58]3[cH:57][c:56]([Cl:55])[c:62]([N:63]4[CH2:64][CH2:65][O:66][CH2:67][CH2:68]4)[cH:61][cH:60]3)[n:46][n:47]2)[cH:52][cH:53][cH:54]1