HRID1126310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1

HCID11816863

Methyl 6-nitro-1H-indole-2-carboxylate

C10H8N2O4

结构：CC(C)(C)OC(=O)NCCNC(=O)c1ccc2[nH]c(C(=O)O)cc2c1

HCID58747088

未命名化合物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1ccc2[nH]c(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2c1

HCID86591604

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc4[nH]3)cc2[nH]1

HCID58747126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac11c0003d9c4a83b8ca668336df0867
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][CH2:25][CH2:26][NH:27][C:28](=[O:29])[c:30]1[cH:31][c:32]2[cH:33][c:34]([C:39](=[O:40])[OH:41])[nH:35][c:36]2[cH:37][cH:38]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([N+:14]([O-:15])=[O:16])[cH:10][cH:11][c:12]2[cH:13]1.[CH3:78][OH:79].[F:42][c:43]1[c:44]([O:45][C:46]([c:47]2[nH:48][c:49]3[c:50]([cH:51]2)[cH:52][c:53]([C:54](=[O:55])[NH:56][CH2:57][CH2:58][NH:59][C:60]([O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[cH:67][cH:68]3)=[O:69])[c:70]([F:71])[c:72]([F:73])[c:74]([F:75])[c:76]1[F:77].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([NH:14][C:39]([c:34]3[cH:33][c:32]4[cH:31][c:30]([C:28]([NH:27][CH2:26][CH2:25][NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])=[O:29])[cH:38][cH:37][c:36]4[nH:35]3)=[O:40])[cH:10][cH:11][c:12]2[cH:13]1