HRID206512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)C(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(Cl)s3)nc12)C(=O)N1CCC(C#N)CC1

HCID178446499

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)c1c[nH]c2ncc(-c3cnc(Cl)s3)nc12)C(=O)N1CCC(C#N)CC1

HCID76031062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf6bb0b4a574fbe814d4c8b6169fa22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](#[N:2])[CH:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[c:19]2[cH:20][n:21]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[c:22]3[n:23][cH:24][c:25](-[c:28]4[cH:29][n:30][c:31]([Cl:33])[s:32]4)[n:26][c:27]23)[CH2:7][CH2:8]1.[CH3:50][C:51](=[O:52])[O-:53].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:55][CH2:56][Cl:57].[Na+:49].[OH2:54].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[C:1](#[N:2])[CH:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[c:19]2[cH:20][nH:21][c:22]3[n:23][cH:24][c:25](-[c:28]4[cH:29][n:30][c:31]([Cl:33])[s:32]4)[n:26][c:27]23)[CH2:7][CH2:8]1