HRID1563475

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

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

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(N2CCc3ccccc3NC2=O)CC1

HCID67273368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13898c884da441e592e98a83d4d65767
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].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]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:54])[NH:45][c:46]3[c:47]([cH:50][cH:51][cH:52][cH:53]3)[CH2:48][CH2:49]2)[CH2:41][CH2:42]1.[cH:64]1[cH:65][cH:66][n:67][cH:68][cH:69]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:54])[NH:45][c:46]3[c:47]([cH:50][cH:51][cH:52][cH:53]3)[CH2:48][CH2:49]2)[CH2:41][CH2:42]1