HRID1208765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66821964

未命名化合物

HCID66822207

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nnc(-c2ccc(OCc3ccccc3)cc2)o1)C(O)CCCCCOc1cccc(F)c1

HCID66821935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-810f4d9b716249aa9d0a98aeeb9b3e34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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