HRID1554705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2760346

3-Phenoxyphenethylamine

C14H15NO

反应SMILES：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(Cl)cc21

HCID58244395

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4cccc(Oc5ccccc5)c4)cc3)c(Cl)cc21

HCID67080527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-93130e2ae7a34bb6828f2168069cd26f
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

[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26].[ClH:43].[O:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[c:34]1[cH:35][c:36]([CH2:37][CH2:38][NH2:39])[cH:40][cH:41][cH:42]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:55][n:56]1[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:39][CH2:38][CH2:37][c:36]3[cH:35][c:34]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:42][cH:41][cH:40]3)[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26]