HRID1133641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID11020615

未命名化合物

HCID18474829

1-(2,3-Dihydro-1H-inden-4-yl)piperazine

C13H18N2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CN2CCN(c3cccc4c3CCC4)CC2)CC1

HCID68580879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d43dd02b24c34eb282f7405b50a14c13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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