HRID1560237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID11603838

未命名化合物

HCID67017907

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)c(Br)cc2[nH]1

HCID67017929

Ethyl 6-bromo-5-[[1-(1-methylethyl)-4-piperidinyl]oxy]-1H-indole-2-carboxylate

C19H25BrN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1309dbde66a4f91bb0c9039d90c86b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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