HRID691449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID597250

2,4-Dimethoxybenzylamine

C9H13NO2

结构：CC1(C)OC2C(CN=[N+]=[N-])CC(n3ccc4c(Cl)ncnc43)C2O1

HCID178431228

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncnc3c2ccn3C2CC(CN=[N+]=[N-])C3OC(C)(C)OC32)c(OC)c1

HCID178490997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29ac0d5163d40f583282216aea7a4d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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