HRID86277

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

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-feed7cbf917d4fb38de0819f2fdd651b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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