HRID2157080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID26698

6-Isoquinolinol, 1,2,3,4-tetrahydro-

C9H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2775663

4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

C12H8F3NO2S

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCc2cc(O)ccc2C1

HCID22256691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e76b4886044fd8bdbfa532fd68dada
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BrH:42].[CH2:74]([Cl:75])[Cl:76].[CH3:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[ClH:30].[OH:20][n:21]1[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1.[OH:43][c:44]1[cH:45][c:46]2[c:51]([cH:52][cH:53]1)[CH2:50][NH:49][CH2:48][CH2:47]2.[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[CH3:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:5][c:6]1[C:7](=[O:9])[N:49]1[CH2:48][CH2:47][c:46]2[cH:45][c:44]([OH:43])[cH:53][cH:52][c:51]2[CH2:50]1