HRID163542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID10966027

4-(Piperazin-1-yl)thieno[3,2-c]pyridine

C11H13N3S

HCID24720884

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1

HCID67125790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6edea6a340e40b69ba0d2ba971fcaec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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