HRID2131742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

HCID4574913

未命名化合物

结构：CCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2cn[nH]c2)c1

HCID67373187

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2cnn(CCOC)c2)c1

HCID67374154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da0b1837938f49fb9938fe99fa955e33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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