HRID182970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID589223

5-chlorothiophene-2-carbonyl chloride

C5H2Cl2OS

反应SMILES：NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

HCID22174754

4-{4-[5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

C14H17N3O4

PRODUCTS

产物

反应SMILES：O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1

HCID6433119

Rivaroxaban, Xarelto, BAY 59-7939

C19H18ClN3O5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a11789d48664471bad3a687c614f2cbe
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

[CH3:38][C:39](=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:28][c:29]1[cH:30][cH:31][c:32]([C:34](=[O:35])[Cl:36])[s:33]1.[NH2:1][CH2:2][CH:3]1[CH2:4][N:5]([c:9]2[cH:10][cH:11][c:12]([N:15]3[C:16](=[O:21])[CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[C:6](=[O:8])[O:7]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:37]>>[NH:1]([CH2:2][CH:3]1[CH2:4][N:5]([c:9]2[cH:10][cH:11][c:12]([N:15]3[C:16](=[O:21])[CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[C:6](=[O:8])[O:7]1)[C:34]([c:32]1[cH:31][cH:30][c:29]([Cl:28])[s:33]1)=[O:35]