HRID151103

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

HCID71416978

1-{[(Benzyloxy)(formyl)amino]methyl}cycloheptane-1-carboxylic acid

C17H23NO4

PRODUCTS

生成物

结构：O=CN(CC1(C(=O)NNc2nccc(C(F)(F)F)n2)CCCCCC1)OCc1ccccc1

HCID86606480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-378d9ff00ba7432dadd068dd3d1059f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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