HRID1560651

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

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18438648

1-(Aminomethyl)cycloheptan-1-ol

C8H17NO

HCID18438656

2-Chloro-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid

C11H8ClNO2S

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cs1

HCID56662034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f8b930ef43243108d4a5826c2b0123f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:11]2[n:12][c:13]([CH3:16])[s:14][cH:15]2)[cH:9][cH:10]1.[ClH:37].[NH2:17][CH2:18][C:19]1([OH:26])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:17][CH2:18][C:19]2([OH:26])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:7][c:8](-[c:11]2[n:12][c:13]([CH3:16])[s:14][cH:15]2)[cH:9][cH:10]1