HRID1542911

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

HCID424390

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)NC2CCC(CO)CC2)c1

HCID21877144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b62d8afbdb24cfa9036c6fd4a64e454
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

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