HRID2346053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID31404

Butylated hydroxytoluene

C15H24O

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[C]1=CC(NC(=O)OC(C)(C)C)CC1

HCID15630117

未命名化合物

结构：Cc1c(-c2ccccc2)c(Br)c2oc(C(C)(C)C)nc2c1C#N

HCID68584923

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(C2=CC(NC(=O)OC(C)(C)C)CC2)c2oc(C(C)(C)C)nc2c1C#N

HCID86630798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66882f3ea94b4a7dbd714243f7ee6666
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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