HRID89105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID24479

未命名化合物

结构：CC(C)c1nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2n1Cc1ccc(C#N)c2ccccc12

HCID22100719

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(N)c2n1Cc1ccc(C#N)c2ccccc12

HCID22100636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0453f1d4547e458e8c65732d29aa85e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:13][n:14]2[c:15]([CH:40]([CH3:41])[CH3:42])[n:16][c:17]3[c:18]2[c:19]([N+:37]([O-:38])=[O:39])[c:20]([O:23][CH:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[cH:21][cH:22]3)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[OH2:43].[OH2:44].[Sn:45]([Cl:46])[Cl:47].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:13][n:14]2[c:15]([CH:40]([CH3:41])[CH3:42])[n:16][c:17]3[c:18]2[c:19]([NH2:37])[c:20]([O:23][CH:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[cH:21][cH:22]3)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12