HRID155206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCN=[N+]=[N-])cc2)C(OCc2ccc3ccccc3c2)C1

HCID54241695

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCN)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53930099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a9f84a6bff846ef9eb85e9c04be829e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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