HRID121344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID571846

4-(Trifluoromethoxy)benzylamine

C8H8F3NO

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(OCC3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)CC1

HCID23081090

未命名化合物

PRODUCTS

生成物

结构：CC1(COc2ccc(N3CCN(C(=O)NCc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

HCID69481127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebc8d2e6db564a5289ebc72af26641cc
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

[C:54]([n:55]1[cH:56][cH:57][n:58][cH:59]1)([n:60]1[cH:61][cH:62][n:63][cH:64]1)=[O:65].[CH2:66]([Cl:67])[Cl:68].[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[F:41][C:42]([O:43][c:44]1[cH:45][cH:46][c:47]([CH2:48][NH2:49])[cH:50][cH:51]1)([F:52])[F:53].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[NH:49][CH2:48][c:47]4[cH:46][cH:45][c:44]([O:43][C:42]([F:41])([F:52])[F:53])[cH:51][cH:50]4)[CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1