HRID832092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID5788

m-Cresotic acid

C8H8O3

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：O=C(NC1CCNCC1)c1cc(F)cnc1Oc1ccc(F)cc1

HCID22058438

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(F)cnc3Oc3ccc(F)cc3)CC2)c(O)c1

HCID22058432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c9ed339a41f647938be882934345ef03
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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