HRID172797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID18652

2,5-Dimethoxybenzylamine

C9H13NO2

HCID2724942

未命名化合物

结构：CN(C)C(=O)C1CN2CCC1C(=O)C2C(c1ccccc1)c1ccccc1

HCID22097572

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(CNC2C3CCN(CC3C(=O)N(C)C)C2C(c2ccccc2)c2ccccc2)c1

HCID70116551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2567110eb7c435eaad73633d5d04ab9
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:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][N:2]([C:3](=[O:4])[CH:5]1[CH2:6][N:7]2[CH:8]([CH:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:9](=[O:13])[CH:10]1[CH2:11][CH2:12]2)[CH3:27].[CH3:28][O:29][c:30]1[c:31]([CH2:32][NH2:33])[cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][C:63](=[O:64])[OH:65].[Na+:54].[OH2:40]>>[CH3:1][N:2]([C:3](=[O:4])[CH:5]1[CH2:6][N:7]2[CH:8]([CH:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH:9]([NH:33][CH2:32][c:31]3[c:30]([O:29][CH3:28])[cH:37][cH:36][c:35]([O:38][CH3:39])[cH:34]3)[CH:10]1[CH2:11][CH2:12]2)[CH3:27]