HRID666160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID81747

3,5-Dimethoxybenzaldehyde

C9H10O3

结构：O=C1N(CCN2CCNCC2)CCC1(c1ccc(F)cc1)c1ccc(F)cc1

HCID67443011

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCN(CCN3CCC(c4ccc(F)cc4)(c4ccc(F)cc4)C3=O)CC2)cc(OC)c1

HCID56961908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4724ea62800e4cbbbff5a0e40e2e548a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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