HRID157630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：O=C(O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID262767

3-[(Triphenylmethyl)sulfanyl]propanoic acid

C22H20O2S

HCID6488196

未命名化合物

结构：O=C(Cl)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86013825

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nnc(-c2cccnc2)s1

HCID66613323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-318ab187eba84f3ebf77e9fa59c63d2e
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:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[S:31][CH2:32][CH2:33][C:34](=[O:35])[OH:36].[C:37]([S:38][CH2:39][CH2:40][C:41]([Cl:42])=[O:43])([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[C:94](=[O:95])([OH:96])[O-:97].[CH3:62][NH:63][c:64]1[s:65][c:66](-[c:69]2[cH:70][n:71][cH:72][cH:73][cH:74]2)[n:67][n:68]1.[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH3:7][N:8]([CH3:9])[CH:10]=[O:11].[CH3:82][N:83]([CH3:84])[c:85]1[cH:86][cH:87][n:88][cH:89][cH:90]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:91][CH2:92][Cl:93].[Na+:98]>>[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[S:31][CH2:32][CH2:33][C:34](=[O:35])[N:63]([CH3:62])[c:64]1[s:65][c:66](-[c:69]2[cH:70][n:71][cH:72][cH:73][cH:74]2)[n:67][n:68]1