HRID1559962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：COCCCc1cn(C)c2ccc(C(O)C(CC3COC(C)(C)N3C(=O)OC(C)(C)C)C(C)C)cc12

HCID66888806

未命名化合物

PRODUCTS

生成物

结构：COCCCc1cn(C)c2ccc(C(OC(=O)COC)C(CC3COC(C)(C)N3C(=O)OC(C)(C)C)C(C)C)cc12

HCID66887418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd70c795519d4426aec2ed97dfada1e2
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

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