HRID2137767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Oc1ccc([N+](=O)[O-])cc1

HCID11539448

未命名化合物

HCID13789252

1-(2-Methyl-2H-tetrazol-5-yl)methanamine

C3H7N5

PRODUCTS

生成物

结构：Cn1nnc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1

HCID10158693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c07f335b2f1b4aadb49a8f019ef09bc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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