HRID1122958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

反应SMILES：COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1ccc(OC)cc1

HCID59829838

未命名化合物

PRODUCTS

产物

反应SMILES：COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SCCCN(C)C)n1-c1ccc(OC)cc1

HCID59829887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ad41b861cbe7454c860307c9f3dd0bd0
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:32](=[O:33])([O-:34])[O-:35].[CH3:39][N:40]([CH2:41][CH2:42][CH2:43][Cl:44])[CH3:45].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:28][CH2:29][O:30][CH3:31])[cH:6][c:7]([O:24][CH2:25][O:26][CH3:27])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[c:12](=[S:15])[nH:13][n:14]2)[cH:9]1.[Cl-:47].[ClH:38].[K+:36].[K+:37].[Na+:46]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:28][CH2:29][O:30][CH3:31])[cH:6][c:7]([O:24][CH2:25][O:26][CH3:27])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[c:12]([S:15][CH2:43][CH2:42][CH2:41][N:40]([CH3:39])[CH3:45])[n:13][n:14]2)[cH:9]1