HRID286324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COc1cc(-c2cnc3c(n2)c(I)cn3[Si](C(C)C)(C(C)C)C(C)C)cc(OC)c1OC

HCID59540525

未命名化合物

HCID59540609

未命名化合物

HCID178455847

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3c(n2)c(C(O)C(C)(C)CC#N)cn3[Si](C(C)C)(C(C)C)C(C)C)cc(OC)c1OC

HCID59540786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3021bd246c824571974bc4748b4be25e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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