HRID135852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID9246

Cyclohexene oxide

C6H10O

结构：O=C(Nc1ccc(Oc2ccc(C(=O)N3CCNCC3)cc2)nc1)c1ccc(C(F)(F)F)cc1

HCID68522218

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccc(C(=O)N3CCN(C4CCCCC4O)CC3)cc2)nc1)c1ccc(C(F)(F)F)cc1

HCID178522222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41f658b6d05f486fbc54b42dc9c100fb
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

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