HRID211567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6503

Tromethamine

C4H11NO3

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID527635

tert-Butyl methylcarbamate

C6H13NO2

结构：Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(Br)ccc2n1

HCID10364754

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1

HCID58820199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8311de69ffe4eb0b648e7ba87ca5ac9
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

[Br:1][c:2]1[cH:3][c:4]2[c:5](-[n:19]3[cH:20][cH:21][c:22]4[cH:23][n:24][cH:25][cH:26][c:27]34)[n:6][c:7](-[c:12]3[c:13]([F:18])[cH:14][cH:15][cH:16][cH:17]3)[n:8][c:9]2[cH:10][cH:11]1.[C:28](=[O:29])([O-:30])[O-:31].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39]([NH:40][CH3:41])=[O:42].[Cs+:32].[Cs+:33].[NH2:43][C:44]([CH2:45][OH:46])([CH2:47][OH:48])[CH2:49][OH:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56]>>[c:2]1([N:40]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:42])[CH3:41])[cH:3][c:4]2[c:5](-[n:19]3[cH:20][cH:21][c:22]4[cH:23][n:24][cH:25][cH:26][c:27]34)[n:6][c:7](-[c:12]3[c:13]([F:18])[cH:14][cH:15][cH:16][cH:17]3)[n:8][c:9]2[cH:10][cH:11]1