HRID144869

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：C[Si](C)(C)CCOCn1cc(C(=O)NC(C(=O)N2CC(C#N)C2)C2CC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc21

HCID178504243

未命名化合物

PRODUCTS

生成物

结构：N#CC1CN(C(=O)C(NC(=O)c2c[nH]c3ncc(-c4ccc(C(F)(F)F)cc4)nc23)C2CC2)C1

HCID76031088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23451475b9e44aa1af8e9e4045b085ec
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

[C:1](#[N:2])[CH:3]1[CH2:4][N:5]([C:7]([CH:8]([CH:9]2[CH2:10][CH2:11]2)[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[c:18]3[n:19][cH:20][c:21](-[c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[n:22][c:23]23)=[O:42])[CH2:6]1.[CH3:51][C:52](=[O:53])[O-:54].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:56][CH2:57][Cl:58].[Na+:50].[OH2:55].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[C:1](#[N:2])[CH:3]1[CH2:4][N:5]([C:7]([CH:8]([CH:9]2[CH2:10][CH2:11]2)[NH:12][C:13](=[O:14])[c:15]2[cH:16][nH:17][c:18]3[n:19][cH:20][c:21](-[c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[n:22][c:23]23)=[O:42])[CH2:6]1