HRID695359

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

HCID421684

methyl N'-methyl-N-phenylcarbamimidothioate

C9H12N2S

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(=NC)Nc3ccccc3)cc2)cc1)C(=O)O

HCID9804347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4c255878d46428c9f2a30f29d226853
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:25][N:26]=[C:27]([NH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[S:35][CH3:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Hg:49]([Cl:50])[Cl:51].[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.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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:27](=[N:26][CH3:25])[NH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1