HRID2326123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID81531

Diisopropylethylamine

C8H19N

HCID10198247

4-[[5-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrile

C12H11N3O

HCID21193292

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(Cc2cccc(C)c2)CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC1

HCID15410567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea218a49f9ec46a3ab88207fd6dd6bc1
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

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