HRID2140423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID3028194

Lithium

结构：CCOC(=O)C(C)OC(c1ccc(C#N)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID68438673

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)OC(c1ccc(C#N)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID68437222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37193651bdc9497b99064a396faf8d65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:9](#[N:10])[c:11]1[cH:12][cH:13][c:14]([CH:17]([O:18][CH:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH3:25])[c:26]2[n:27][cH:28][n:29]([C:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:30]2)[cH:15][cH:16]1.[CH3:50][I:51].[CH3:57][N:58]([CH3:59])[P:60](=[O:61])([N:62]([CH3:63])[CH3:64])[N:65]([CH3:66])[CH3:67].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:71].[Cl:68][CH2:69][Cl:70].[Li:8].[NH4+:72].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][C:19]([O:18][CH:17]([c:14]1[cH:13][cH:12][c:11]([C:9]#[N:10])[cH:16][cH:15]1)[c:26]1[n:27][cH:28][n:29]([C:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:30]1)([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH3:25]