Carbonate Ion → 2-bromo-6-(6-tert-butyl-1-oxophthalazin-2(1H)-yl)benzaldehyde

HRID 1115321

反応式

HRID 1115321 の反応式
[Br:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([Br:10])[cH:7][cH:8][cH:9]1.[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][c:17]2[cH:18][n:19][nH:20][c:21](=[O:25])[c:22]2[cH:23][cH:24]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][O:33][c:34]1[c:35]2[c:36]([c:37]3[c:38]([cH:39][cH:40]2)[c:41]([O:42][CH3:43])[cH:44][cH:45][n:46]3)[n:47][cH:48][cH:49]1.[Cs+:30].[Cs+:31].[Cu:50][I:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[c:2]1(-[n:20]2[n:19][cH:18][c:17]3[cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:24][cH:23][c:22]3[c:21]2=[O:25])[c:3]([CH:4]=[O:5])[c:6]([Br:10])[cH:7][cH:8][cH:9]1

参加物

8

反応物 7

HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104967Cesium cation2 回HCID 104622984,7-Dimethoxy-1,10-phenanthrolineHCID 126486412,6-DibromobenzaldehydeHCID 576339336-(tert-butyl)phthalazin-1(2H)-one

生成物 1

HCID 580161852-bromo-6-(6-tert-butyl-1-oxophthalazin-2(1H)-yl)benzaldehyde

出典と根拠

ORDレコード
ord-e86cdaff01a446c3a6aadf769346b047
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

関連ノート

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