HRID2141636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID581570

2,6-Difluorobenzyl chloride

C7H5ClF2

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)CCc2c(F)cccc2F)CC1

HCID10113598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f1b4a24d711490a8e6d16ddeeb4eff1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:26][CH3:27])[cH:28][cH:29]3)[OH:30])[CH2:16][CH2:17]2)=[O:31])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:42][O:43][c:44]1[cH:45][cH:46][c:47]([CH2:48][Cl:49])[cH:50][cH:51]1.[F:32][c:33]1[c:34]([CH2:35][Cl:36])[c:37]([F:41])[cH:38][cH:39][cH:40]1>>[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][CH2:35][c:34]3[c:33]([F:32])[cH:40][cH:39][cH:38][c:37]3[F:41])[OH:30])[CH2:16][CH2:17]2)=[O:31])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1