HRID119497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID134442

3-Methoxypropanoic acid

C4H8O3

结构：Fc1cc2nc(COc3ccccc3)n(Cc3ccc(OC(F)(F)F)cc3)c2cc1N1CCNCC1

HCID68467102

未命名化合物

PRODUCTS

生成物

结构：COCCC(=O)N1CCN(c2cc3c(cc2F)nc(COc2ccccc2)n3Cc2ccc(OC(F)(F)F)cc2)CC1

HCID68463184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdfab31c333f4f09b187cfc87d7c7140
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][CH2:3][CH2:4][C:5](=[O:6])[OH:7].[Cl:44][CH2:45][Cl:46].[F:8][c:9]1[cH:10][c:11]2[c:12]([n:13]([CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]3)[c:14]([CH2:16][O:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:15]2)[cH:36][c:37]1[N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1>>[CH3:1][O:2][CH2:3][CH2:4][C:5](=[O:7])[N:41]1[CH2:40][CH2:39][N:38]([c:37]2[c:9]([F:8])[cH:10][c:11]3[c:12]([n:13]([CH2:24][c:25]4[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]4)[c:14]([CH2:16][O:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[n:15]3)[cH:36]2)[CH2:43][CH2:42]1