HRID2326107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409153

(1-aminocyclohexyl)methanol

C7H15NO

HCID11391823

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

C13H10FNO3S

PRODUCTS

生成物

结构：CSc1cccc(Oc2ncc(F)cc2C(=O)NC2(CO)CCCCC2)c1

HCID21877160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d83c9ab9d58d4daf888f6eb94ef3caaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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