HRID1551712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11391393

5-methyl-N,N-dipropylisophthalamic acid

C15H21NO3

结构：COc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21085589

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc2cccc(OC)c2)c1

HCID20755994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e406f8a409134fc485034fb1bd8db54f
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][c:40]1[cH:41][c:42]([C:49](=[O:50])[N:51]([CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57])[cH:43][c:44]([C:45](=[O:46])[OH:47])[cH:48]1.[CH3:69][N:70]([CH3:71])[CH2:72][CH2:73][CH2:74][N:75]=[C:76]=[N:77][CH2:78][CH3:79].[ClH:68].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH:9]([CH:10]([CH2:11][NH:12][CH2:13][c:14]1[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]1)[OH:22])[CH2:23][c:24]1[cH:25][c:26]([F:31])[cH:27][c:28]([F:30])[cH:29]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH:58][n:59]1[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH:8]([CH:9]([CH:10]([CH2:11][NH:12][CH2:13][c:14]1[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]1)[OH:22])[CH2:23][c:24]1[cH:25][c:26]([F:31])[cH:27][c:28]([F:30])[cH:29]1)[C:45]([c:44]1[cH:43][c:42]([C:49](=[O:50])[N:51]([CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57])[cH:41][c:40]([CH3:39])[cH:48]1)=[O:46]