HRID156143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID123096

p-Trifluoromethylbenzyl chloride

C8H6ClF3

结构：COc1ccc(CCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1

HCID12052937

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)CCc2ccc(C(F)(F)F)cc2)CC1

HCID10276533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-646bcb5478fd496db4e6cd0d1d347e59
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

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