HRID690070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2774010

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C9H15BN2O2

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1CCCOc1ccc(I)cc1

HCID59447531

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1CCCOc1ccc(-c2cn[nH]c2)cc1

HCID59447632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbe95ce6f30048a992984197a7ee17c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:68](=[O:69])([O-:70])[O-:71].[CH3:54][C:55]1([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60][B:61]([c:62]2[cH:63][n:64][nH:65][cH:66]2)[O:67]1.[Na+:72].[Na+:73].[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:35][CH2:36][CH2:37][O:38][c:39]4[cH:40][cH:41][c:42]([I:45])[cH:43][cH:44]4)[c:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:27]2)[CH2:19][CH2:18]3)[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:35][CH2:36][CH2:37][O:38][c:39]4[cH:40][cH:41][c:42](-[c:62]5[cH:63][nH:64][n:65][cH:66]5)[cH:43][cH:44]4)[c:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:27]2)[CH2:19][CH2:18]3)[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2