Chloride → 2-Amino-4-(benzyloxy)-5-methoxybenzonitrile

HRID 2336014Notes

Reaction equation

HRID 2336014 reaction equation
[C:22](=[O:23])([OH:24])[O-:25].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]([C:13]#[N:14])[c:15]([N+:17]([O-:18])=[O:19])[cH:16]1.[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[Cl-:42].[Cl:65][CH2:66][Cl:67].[ClH:35].[Na+:26].[Na+:33].[Na+:34].[OH2:68].[S:27]([S:28]([O-:29])=[O:30])([O-:31])=[O:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]([C:13]#[N:14])[c:15]([NH2:17])[cH:16]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 1086DithioniteHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 312751,4-DioxaneHCID 116736184-(Benzyloxy)-5-methoxy-2-nitrobenzonitrile

Product 1

HCID 117015842-Amino-4-(benzyloxy)-5-methoxybenzonitrile

Sources & evidence

ORD record
ord-1cf5212763b44a9cb41dc32f6ea731d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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