HRID149349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID3019262

1-(4-Piperidinyl)-1H-benzimidazole

C12H15N3

结构：O=C(Cl)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

HCID22047762

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(n2cnc3ccccc32)CC1

HCID69517889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84eec1d2617347c8ab0ca1956c401969
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

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