HRID207765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

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

HCID67420208

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(OCc3ccccn3)C(C)(C)O4)CC2)cc1

HCID18456041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd103be1aa4545e080afd419e9f284c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][N:21]([c:24]3[c:25]([CH3:38])[c:26]([CH3:37])[c:27]4[c:28]([c:35]3[CH3:36])[CH:29]([OH:34])[C:30]([CH3:32])([CH3:33])[O:31]4)[CH2:22][CH2:23]2)[cH:16][cH:17]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:2][CH2:3][c:4]1[n:5][cH:6][cH:7][cH:8][cH:9]1.[ClH:1]>>[CH2:3]([c:4]1[n:5][cH:6][cH:7][cH:8][cH:9]1)[O:34][CH:29]1[c:28]2[c:27]([c:26]([CH3:37])[c:25]([CH3:38])[c:24]([N:21]3[CH2:20][CH2:19][N:18]([c:15]4[cH:14][cH:13][c:12]([O:11][CH3:10])[cH:17][cH:16]4)[CH2:23][CH2:22]3)[c:35]2[CH3:36])[O:31][C:30]1([CH3:32])[CH3:33]