HRID313990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：C[Si](C)(C)CCOCn1cc(C(=O)NC(C(=O)N2CC(C#N)C2)C2CC2)c2nc(Br)cnc21

HCID178504239

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94310ae5916546e88ec9457e1ddd5d28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:18]3[n:19][cH:20][c:21]([Br:24])[n:22][c:23]23)=[O:33])[CH2:6]1.[C:50](=[O:51])([O-:52])[O-:53].[C:56](=[O:57])([OH:58])[O-:59].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:47][CH2:48][Cl:49].[F:34][C:35]([c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1)([F:45])[F:46].[K+:54].[K+:55].[Na+:60].[OH2:67]>>[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]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:18]3[n:19][cH:20][c:21](-[c:39]4[cH:38][cH:37][c:36]([C:35]([F:34])([F:45])[F:46])[cH:41][cH:40]4)[n:22][c:23]23)=[O:33])[CH2:6]1