HRID114245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID551090

未命名化合物

HCID71209320

methyl 2-(1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxoacetate

C18H13F2IN2O3

PRODUCTS

产物

HCID71209168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3becfa25672d4f07b6b0623b4e40caf8
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

[C:48](=[O:49])([O-:50])[O-:51].[CH3:27][B:28]1[N:29]2[CH2:30][CH2:31][CH2:32][CH:33]2[C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[O:47]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:21])[c:12]([C:15]([C:16](=[O:17])[O:18][CH3:19])=[O:20])[c:13]3[I:14])[cH:22][cH:23][cH:24][c:25]1[F:26].[Na+:52].[Na+:53].[OH2:54].[OH2:68]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:21])[c:12]([CH:15]([C:16](=[O:17])[O:18][CH3:19])[OH:20])[c:13]3[I:14])[cH:22][cH:23][cH:24][c:25]1[F:26]