HRID1538398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID18321559

未命名化合物

结构：COC(=O)C(O)Cc1cc(C)c(OCc2ccccc2)c(C)c1

HCID77257674

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1cc(C)c(OCc2ccccc2)c(C)c1)OC(=O)N1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1

HCID68676086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855a864b067d48b7928238d64c16f017
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

[CH3:14][O:15][C:16]([CH:17]([CH2:18][c:19]1[cH:20][c:21]([CH3:34])[c:22]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:23]([CH3:25])[cH:24]1)[OH:35])=[O:36].[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:9]([O-:10])=[O:11])[cH:12][cH:13]1.[NH:37]1[CH2:38][CH2:39][CH:40]([n:43]2[c:44](=[O:56])[nH:45][c:46]3[c:47]2[cH:48][n:49][c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]32)[CH2:41][CH2:42]1.[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1>>[C:2](=[O:3])([O:35][CH:17]([C:16]([O:15][CH3:14])=[O:36])[CH2:18][c:19]1[cH:20][c:21]([CH3:34])[c:22]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:23]([CH3:25])[cH:24]1)[N:37]1[CH2:38][CH2:39][CH:40]([n:43]2[c:44](=[O:56])[nH:45][c:46]3[c:47]2[cH:48][n:49][c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]32)[CH2:41][CH2:42]1