HRID211930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID592050

2-Aminothiazolo[5,4-b]pyridine

C6H5N3S

结构：O=C(O)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1

HCID59610025

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2cccnc2s1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1

HCID56592345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e32008c17ef94825ad7fbe26be2bfb95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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