HRID117899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID544863

未命名化合物

HCID11391823

2-[3-(Methylsulfanyl)phenoxy]-5-fluoronicotinic acid

C13H10FNO3S

PRODUCTS

生成物

结构：CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCCCC2CO)c1

HCID21877123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ac30052ad2a47d8986d8972e2cb87da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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