HRID182448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID18652

2,5-Dimethoxybenzylamine

C9H13NO2

结构：CN(C)C(=O)C1CC2CCN1C(C(c1ccccc1)c1ccccc1)C2=O

HCID54127991

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(CNC2C3CCN(C(C(=O)N(C)C)C3)C2C(c2ccccc2)c2ccccc2)c1

HCID22097567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a12811ca88f4c6c8443385154fa116a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][N:2]([C:3](=[O:4])[CH:5]1[N:6]2[CH:7]([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:8](=[O:13])[CH:9]([CH2:10]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.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:69][C:70](=[O:71])[OH:72].[Na+:56].[O:40]=[S:41](=[O:42])([OH:43])[CH2:44][C:45]12[CH2:46][CH2:47][CH:48]([C:49]1([CH3:50])[CH3:51])[CH2:52][C:53]2=[O:54].[OH-:55].[OH2:73]>>[CH3:1][N:2]([C:3](=[O:4])[CH:5]1[N:6]2[CH:7]([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:8]([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:9]([CH2:10]1)[CH2:11][CH2:12]2)[CH3:27]