HRID103391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID7520

Benzene, (methylthio)-

C7H8S

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

反应SMILES：CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)Nc1ccc(Br)cc1F

HCID178452490

未命名化合物

PRODUCTS

产物

反应SMILES：CSc1ccccc1-c1ccc(NC(=O)C2CC(O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)c(F)c1

HCID178503133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-baa595afe453496f9ddffb61816b353d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[BH:32]([OH:33])[OH:34].[Br-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:21]([NH:22][c:23]2[c:24]([F:30])[cH:25][c:26]([Br:29])[cH:27][cH:28]2)=[O:31])[CH2:10][CH:11]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:35][S:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:50][CH2:51][CH2:52][CH2:53][N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[Na+:47].[Na+:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:21]([NH:22][c:23]2[c:24]([F:30])[cH:25][c:26](-[c:38]3[c:37]([S:36][CH3:35])[cH:42][cH:41][cH:40][cH:39]3)[cH:27][cH:28]2)=[O:31])[CH2:10][CH:11]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12]1