HRID1207347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)CCN(C1CN(C(=O)OC(C)(C)C)CC1CCCN=[N+]=[N-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1

HCID178446257

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN(C1CN(C(=O)OC(C)(C)C)CC1CCCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

HCID178446258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-393c9071cff346d19fd44f6b809361dc
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

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