HRID683725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID105034

Isocyanate

CNO-

反应SMILES：c1ccc(N2CCN(CCOc3ccccc3C3NCCS3)CC2)cc1

HCID13768099

1-Phenyl-4-{2-[2-(1,3-thiazolidin-2-yl)phenoxy]ethyl}piperazine

C21H27N3OS

PRODUCTS

产物

反应SMILES：NC(=O)N1CCSC1c1ccccc1OCCN1CCN(c2ccccc2)CC1

HCID13768036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b8028c7e350d466d933106d2cd96ce66
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

[C:35](=[O:36])([O-:37])[O-:38].[CH3:31][C:32](=[O:33])[OH:34].[CH3:42][CH2:43][OH:44].[K+:39].[K+:40].[N-:1]=[C:2]=[O:3].[Na+:4].[OH2:41].[c:5]1([N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][O:19][c:20]3[c:21]([CH:26]4[S:27][CH2:28][CH2:29][NH:30]4)[cH:22][cH:23][cH:24][cH:25]3)[CH2:15][CH2:16]2)[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[NH2:1][C:2](=[O:3])[N:30]1[CH:26]([c:21]2[c:20]([O:19][CH2:18][CH2:17][N:14]3[CH2:13][CH2:12][N:11]([c:5]4[cH:6][cH:7][cH:8][cH:9][cH:10]4)[CH2:16][CH2:15]3)[cH:25][cH:24][cH:23][cH:22]2)[S:27][CH2:28][CH2:29]1