HRID114078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(Br)cccc4c3=O)cc2)CCC1

HCID67067700

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(C#C[Si](C)(C)C)cccc4c3=O)cc2)CCC1

HCID67067912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b91c2a4f8ef43ac9cd234923870bc22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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