HRID317424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID12077

Benzoic acid, 3-formyl-

C8H6O3

HCID2724942

未命名化合物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2CC(C)NCC2C)cc1

HCID22350018

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2CC(C)N(Cc3cccc(C(=O)O)c3)CC2C)cc1

HCID178464189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce19ba99e29d459c8678e0bcadd39528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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