HRID1538259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2826172

4-methoxyphenylthiosemicarbazide

C8H11N3OS

反应SMILES：COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O

HCID58236465

未命名化合物

PRODUCTS

产物

反应SMILES：COCOc1cc(OCOC)c(C(C)C)cc1C(=O)N(NC(N)=S)c1ccc(OC)cc1

HCID86624310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1786385b8e884f85bb13679295785747
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

[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([NH:29][NH:30][C:31](=[S:32])[NH2:33])[cH:27][cH:28]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][O:19][CH3:20])[cH:6][c:7]([O:13][CH2:14][O:15][CH3:16])[c:8]([C:9](=[O:10])[OH:11])[cH:12]1.[Cl-:57].[Na+:56].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][O:19][CH3:20])[cH:6][c:7]([O:13][CH2:14][O:15][CH3:16])[c:8]([C:9](=[O:11])[N:29]([c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]2)[NH:30][C:31](=[S:32])[NH2:33])[cH:12]1