HRID148780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1(C)CC=C(c2cc(Cc3nnn[nH]3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1

HCID178424487

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCn1nnc(Cc2ccc(NC(=O)c3nc(C#N)cn3COCC[Si](C)(C)C)c(C3=CCC(C)(C)CC3)c2)n1

HCID58754832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a6f51620b54d2ab7775dd5b2924434
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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