HRID100712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6362

2-Iodopropane

C3H7I

HCID19660

Carbonate

CO3-2

结构：COc1ccc(CNc2ncnc3c2ccn3C2OC(CNC3CC(CCC(=O)OCc4ccccc4)C3)C3OC(C)(C)OC32)c(OC)c1

HCID178490998

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncnc3c2ccn3C2OC(CN(C(C)C)C3CC(CCC(=O)OCc4ccccc4)C3)C3OC(C)(C)OC32)c(OC)c1

HCID178491004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74367b1add994abf8db4d8fc39397fcf
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

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