HRID89365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID166653

Hydride

H-

结构：CCCCOc1ccc(CN(CC(O)c2cccc(Cl)c2)C(C)Cc2ccc(OC)c(OC)c2)cc1OC

HCID178450170

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(C)N2CC(c3cccc(Cl)c3)OC2=O)cc1OC

HCID21192340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab63e95d21c0443e928255bc396b2941
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

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