HRID1557967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID700

Ethanolamine

C2H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(C(=O)O)ncc1C(Sc1ccc(F)cc1)c1c(F)ccc(F)c1F

HCID57736472

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NCCO)ncc1C(Sc1ccc(F)cc1)c1c(F)ccc(F)c1F

HCID57736478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8deb734514e34a7cace627a1ca0f1f6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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