Bicarbonate Ion → N-(6-Cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-phenylethylenediamine

HRID 141135

반응식

HRID 141135 반응식
[Br:1][CH:2]1[CH2:3][C:4]([CH3:14])([CH3:15])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2.[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[c:16]1([NH:22][CH2:23][CH2:24][NH2:25])[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH:2]1([NH:25][CH2:24][CH2:23][NH:22][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:3][C:4]([CH3:14])([CH3:15])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 742701,2-Ethanediamine, N1-phenyl-HCID 102446284-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran

생성물 1

HCID 19373592N-(6-Cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-phenylethylenediamine

출처 및 근거

ORD 기록
ord-b26bfaadce5f4dcabc796cc1eb86e498
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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