HRID2140939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID240

Benzaldehyde

C7H6O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID2724942

未命名化合物

结构：Cc1snc2c1C(=O)N=C(N)NCc1cc(Cl)c(c(Cl)c1)NC(=O)CNCCCC=CCOc1ccc-2cc1

HCID178435148

未命名化合物

PRODUCTS

生成物

结构：Cc1snc2c1C(=O)N=C(N)NCc1cc(Cl)c(c(Cl)c1)NC(=O)CN(Cc1ccccc1)CCCC=CCOc1ccc-2cc1

HCID178435147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb4abf8633c24bc4851d94750733e572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:69][C:70](=[O:71])[OH:72].[CH:40](=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:62]([O:63][CH3:64])([O:65][CH3:66])[O:67][CH3:68].[NH2:1][C:2]1=[N:3][C:4](=[O:39])[c:5]2[c:6]([CH3:38])[s:7][n:8][c:9]2-[c:10]2[cH:11][cH:12][c:13]([cH:36][cH:37]2)[O:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][NH:21][CH2:22][C:23](=[O:35])[NH:24][c:25]2[c:26]([Cl:34])[cH:27][c:28]([cH:31][c:32]2[Cl:33])[CH2:29][NH:30]1.[Na+:61]>>[NH2:1][C:2]1=[N:3][C:4](=[O:39])[c:5]2[c:6]([CH3:38])[s:7][n:8][c:9]2-[c:10]2[cH:11][cH:12][c:13]([cH:36][cH:37]2)[O:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:40][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:22][C:23](=[O:35])[NH:24][c:25]2[c:26]([Cl:34])[cH:27][c:28]([cH:31][c:32]2[Cl:33])[CH2:29][NH:30]1