HRID205052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID286779

5-(3-chloropropyl)-10,11-dihydro-5h-dibenzo[b,f]azepine

C17H18ClN

HCID15651197

Ethyl morpholine-2-carboxylate

C7H13NO3

HCID18411732

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CN(CCCN2c3ccccc3CCc3ccccc32)CCO1

HCID53962050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d42ce2c14664a76b3058cd82de27d5b
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:12](=[O:13])([O-:14])[O-:15].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[O:7][CH2:8][CH2:9][NH:10][CH2:11]1.[CH3:63][C:64]#[N:65].[Cl:43][CH2:44][CH2:45][CH2:46][N:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[CH2:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]21.[I-:19].[K+:16].[K+:17].[K+:18].[OH2:62].[cH:20]1[cH:21][cH:22][cH:23][c:24]2[c:30]1[CH2:29][CH2:28][c:27]1[c:26]([cH:34][cH:33][cH:32][cH:31]1)[N:25]2[CH2:35][CH2:36][CH2:37][O:38][S:39]([CH3:40])(=[O:41])=[O:42]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[O:7][CH2:8][CH2:9][N:10]([CH2:37][CH2:36][CH2:35][N:25]2[c:24]3[cH:23][cH:22][cH:21][cH:20][c:30]3[CH2:29][CH2:28][c:27]3[c:26]2[cH:34][cH:33][cH:32][cH:31]3)[CH2:11]1