HRID182968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

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

HCID46207940

未命名化合物

HCID59351393

2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H19BF2O2

PRODUCTS

生成物

结构：O=C(c1ccc(Oc2nccnc2C2=CCC(F)(F)CC2)cc1)c1nc2ccccc2[nH]1

HCID59351172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd6728e5ddff421abb2e466cf1e9a155
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[F:26][C:27]1([F:42])[CH2:28][CH:29]=[C:30]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[CH2:31][CH2:32]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:55].[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:30]3=[CH:29][CH2:28][C:27]([F:26])([F:42])[CH2:32][CH2:31]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2