HRID1230923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID7841

Allyl bromide

C3H5Br

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

结构：COC(=O)Cc1c(-c2ccccc2)c(C)c(C#N)c2nc(C3CC3)oc12

HCID86630881

未命名化合物

PRODUCTS

生成物

结构：C=CCC(C(=O)OC)c1c(-c2ccccc2)c(C)c(C#N)c2nc(C3CC3)oc12

HCID68584392

Methyl 2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)pent-4-enate

C24H22N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21429d98999c4ffe962649d416a987ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([CH3:26])[c:5](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:6]([CH2:15][C:16](=[O:17])[O:18][CH3:19])[c:7]2[c:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14]1)[o:11]2.[CH2:37]([CH:38]=[CH2:39])[Br:40].[CH3:27][Si:28]([CH3:29])([CH3:30])[N-:31][Si:32]([CH3:33])([CH3:34])[CH3:35].[Cl-:41].[K+:36].[NH4+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:1](#[N:2])[c:3]1[c:4]([CH3:26])[c:5](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:6]([CH:15]([C:16](=[O:17])[O:18][CH3:19])[CH2:39][CH:38]=[CH2:37])[c:7]2[c:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14]1)[o:11]2