HRID168117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID66767171

未命名化合物

结构：COCCN1CCN(c2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(N)cc4F)c23)CC1

HCID68513836

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCN(c2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)c23)CC1

HCID68513921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd8effe6ccd94fbba87f00fd0f8423d5
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

[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][n:36]2[n:37][c:38]([N:54]3[CH2:55][CH2:56][N:57]([CH2:60][CH2:61][O:62][CH3:63])[CH2:58][CH2:59]3)[c:39]3[c:40]2[n:41][cH:42][cH:43][c:44]3[O:45][c:46]2[c:47]([F:53])[cH:48][c:49]([NH2:52])[cH:50][cH:51]2)[cH:64][cH:65]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[F:12][c:13]1[cH:14][cH:15][c:16](-[n:19]2[n:20][cH:21][cH:22][c:23]([C:26](=[O:27])[OH:28])[c:24]2=[O:25])[cH:17][cH:18]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77]>>[F:12][c:13]1[cH:14][cH:15][c:16](-[n:19]2[n:20][cH:21][cH:22][c:23]([C:26](=[O:28])[NH:52][c:49]3[cH:48][c:47]([F:53])[c:46]([O:45][c:44]4[c:39]5[c:38]([N:54]6[CH2:55][CH2:56][N:57]([CH2:60][CH2:61][O:62][CH3:63])[CH2:58][CH2:59]6)[n:37][n:36]([CH2:35][c:34]6[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:65][cH:64]6)[c:40]5[n:41][cH:42][cH:43]4)[cH:51][cH:50]3)[c:24]2=[O:25])[cH:17][cH:18]1