HRID1553577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID1394487

4-(4-Methoxyphenyl)benzaldehyde

C14H12O2

HCID2724942

未命名化合物

HCID58726848

N1-Isothiazolo[4,5-b]pyrazin-3-yl-1,3-propanediamine

C8H11N5S

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CNCCCNc3nsc4nccnc34)cc2)cc1

HCID58726860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-961a1916815a42159def7cefc404e304
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH2:49]([Cl:50])[Cl:51].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]2)[cH:21][cH:22]1.[Cl:45][CH2:46][CH2:47][Cl:48].[Na+:44].[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[c:4]2[c:5]1[n:6][cH:7][cH:8][n:9]2>>[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:29][c:26]2[cH:25][cH:24][c:23](-[c:20]3[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]3)[cH:28][cH:27]2)[c:4]2[c:5]1[n:6][cH:7][cH:8][n:9]2