HRID1568466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

结构：CC(C)C(CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)C1Cc2ccc(O)cc2CN1

HCID22268280

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)C1Cc2ccc(O)cc2CN1C(=O)CN(C)C

HCID22268279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c842bb1ce8749ceb7054d48b9c0cd00
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

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