HRID1120676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID45480186

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

C13H17BN2O2

结构：CCOC(=O)c1nc(I)oc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID68522092

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(-c2cccc3[nH]ncc23)oc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID59587447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-192e9a266f5348a8bf5a280e414a15d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([I:30])[o:9][c:10]1-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[c:40]3[cH:41][n:42][nH:43][c:44]3[cH:45][cH:46][cH:47]2)[O:48]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:65]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8](-[c:39]2[c:40]3[cH:41][n:42][nH:43][c:44]3[cH:45][cH:46][cH:47]2)[o:9][c:10]1-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1