HRID206054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID1268079

2-Hydrazino-4-(trifluoromethyl)pyrimidine

C5H5F3N4

结构：CCCCC1CC(CN(C=O)OCc2ccccc2)(C(=O)O)C1

HCID86606490

未命名化合物

PRODUCTS

生成物

结构：CCCCC1CC(CN(C=O)OCc2ccccc2)(C(=O)NNc2nccc(C(F)(F)F)n2)C1

HCID86606489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d202915033406787b941a20c6e63ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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