HRID1559552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID11776

Triphenylphosphine

C18H15P

HCID23925

Iron

结构：CCOC(=O)CC1(Cc2ccc(OCCCNc3cccc[n+]3[O-])cc2)CCCN(C(C)=O)C1

HCID178470582

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1(Cc2ccc(OCCCNc3ccccn3)cc2)CCCN(C(C)=O)C1

HCID12018737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-725e70c4cf3f468cba497d1b3d30550f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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