HRID200906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID343747

Ethyl 2-amino-4-methylthiazole-5-carboxylate

C7H10N2O2S

HCID68226631

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C

HCID86671253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02becd3cc8ff4f6da4ba8f1caeb86c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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