HRID98819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)O)CC4)cc2)CC3)cc1

HCID69515987

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)N(C)OC)CC4)cc2)CC3)cc1

HCID59020065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0c1164af8c94abe911364e63af8e9de
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

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