HRID694137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID286779

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

C17H18ClN

HCID700589

ethyl 3-acetamidobenzoate

C11H13NO3

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(N(CCCN2c3ccccc3CCc3ccccc32)C(C)=O)c1

HCID70196013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b67c72f1feed45a2838362c9d562ec3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:22]([CH3:23])[O:24][C:25]([c:26]1[cH:27][c:28]([NH:32][C:33]([CH3:34])=[O:35])[cH:29][cH:30][cH:31]1)=[O:36].[CH2:39]([C:40]([CH3:41])=[O:42])[CH3:43].[CH3:44][S:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[H-:37].[I-:21].[K+:20].[Na+:38].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:32]([c:28]1[cH:27][c:26]([C:25]([O:24][CH2:22][CH3:23])=[O:36])[cH:31][cH:30][cH:29]1)[C:33]([CH3:34])=[O:35]