HRID1148192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

结构：O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1

HCID46207940

未命名化合物

结构：CC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C

HCID53393368

tert-Butyl(dimethyl){[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxy}silane

C18H35BO3Si

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC1CC=C(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1

HCID59351245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2498383b1d804b9cbbeebf87520d1a83
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

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