HRID143394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1

HCID22935595

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3ccc(F)cc3)C(C)(C)O4)CC2)cc1

HCID58847332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec597040d1fe4f6b840e9bbfcfa157db
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

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