Acetic Acid → 5-(3,5-dicyano-1,4-dihydro-2,6-dimethyl-4-pyridinyl)-3-(ethylamino)-1H-indazole-1-carboxylic acid tert-butyl ester

HRID 186639

反応式

HRID 186639 の反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH2:29])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12.[C:37]([BH3-:38])#[N:39].[CH3:33][C:34](=[O:35])[OH:36].[CH3:41][OH:42].[CH:30]([CH3:31])=[O:32].[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:29][CH2:30][CH3:31])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12

参加物

7

反応物 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 24959832tert-Butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazole-1-carboxylate

生成物 1

HCID 690460615-(3,5-dicyano-1,4-dihydro-2,6-dimethyl-4-pyridinyl)-3-(ethylamino)-1H-indazole-1-carboxylic acid tert-butyl ester

出典と根拠

ORDレコード
ord-136d6c999c5e4fe8bd6ff144f3314e3b
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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