HRID89857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID7047

Quinoline

C9H7N

HCID478820

2-amino-N-(4-methoxyphenyl)benzamide

C14H14N2O2

HCID23447619

1-(Pyridin-4-yl)piperidin-4-ol

C10H14N2O

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccccc2NC(=O)OC2CCN(c3ccncc3)CC2)cc1

HCID18174418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b9e1d8735954217bf4ea8a4a5664497
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

[CH2:58]([Cl:59])[Cl:60].[CH3:14][S:15](=[O:16])(=[O:17])[OH:18].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][O:41][c:42]1[cH:43][cH:44][c:45]([NH:48][C:49]([c:50]2[c:51]([NH2:56])[cH:52][cH:53][cH:54][cH:55]2)=[O:57])[cH:46][cH:47]1.[Cl:29][C:30]([Cl:31])=[O:32].[cH:19]1[cH:20][c:21]2[c:22]([n:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1.[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([OH:13])[CH2:11][CH2:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([O:13][C:30](=[O:32])[NH:56][c:51]3[c:50]([C:49]([NH:48][c:45]4[cH:44][cH:43][c:42]([O:41][CH3:40])[cH:47][cH:46]4)=[O:57])[cH:55][cH:54][cH:53][cH:52]3)[CH2:11][CH2:12]2)[cH:5][cH:6]1