HRID1113326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24085

未命名化合物

HCID24841

Hydrogen iodide

HCID221767

methyl n,n'-diphenylcarbamimidothioate

C14H14N2S

结构：CCOC(Cc1ccc(OCCc2ccc(N)cc2)cc1)C(=O)O

HCID22988713

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCCc2ccc(NC(=Nc3ccccc3)Nc3ccccc3)cc2)cc1)C(=O)O

HCID178467723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d05c613811c342e98755fd3c57e8d040
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

[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Hg:55]([Cl:56])[Cl:57].[IH:25].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[O:20][CH2:21][CH3:22])[cH:13][cH:14]2)[cH:23][cH:24]1.[c:26]1([NH:32][C:33](=[N:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[S:41][CH3:42])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[O:20][CH2:21][CH3:22])[cH:13][cH:14]2)[cH:23][cH:24]1)[C:33](=[N:32][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[NH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1