HRID2310102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID599539

2-Amino-5-bromopyrazine

C4H4BrN3

结构：CC1CN(c2c(C=O)cc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)CC(C)O1

HCID76045223

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2c(C=O)cc(-c3cnc(N)cn3)c(F)c2F)CC(C)O1

HCID86614501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c6cd65694554553a36e63a9c1b9c68b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:46][c:47]1[n:48][cH:49][c:50]([NH2:53])[n:51][cH:52]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cs+:32].[Cs+:33].[OH2:45].[OH2:60]>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13](-[c:47]3[n:48][cH:49][c:50]([NH2:53])[n:51][cH:52]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1