HRID1209748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)OCc4ccccc4)CC3)cc2F)ccn1)N1CC(O)C1

HCID24788565

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID8471

Triethylamine

C6H15N

结构：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)O)CC3)cc2F)ccn1)N1CC(O)C1

HCID24788562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b3bb229aaee47e6977b9be069aea89b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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