HRID95904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID53167

1-Methylpiperazine

C5H12N2

HCID2724942

未命名化合物

结构：CC(CC=O)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

HCID22381677

未命名化合物

PRODUCTS

生成物

结构：CC(CCN1CCN(C)CC1)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

HCID20812442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a115ec49642f42dfa1ea87ce5144b0fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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