HRID1230720

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

HCID39870393

未命名化合物

结构：CCCCCn1c(=NN)[nH]c(=O)c2[nH]c(C(F)(F)F)nc21

HCID178446163

未命名化合物

PRODUCTS

生成物

结构：CCCCCn1c(=NNC(=O)CCc2nc(Cc3ccccc3)no2)[nH]c(=O)c2[nH]c(C(F)(F)F)nc21

HCID178446150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-180c9b53dc1b4611a6323e5d9c84fc00
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

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