Acetate → 2-(3-Nitro-phenylamino)-pyridine-3-carbaldehyde

HRID 684802Notes

Reaction equation

HRID 684802 reaction equation
[Br:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][cH:8][n:9]1.[C:49](=[O:50])([O-:51])[O-:52].[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:73][CH2:74][Cl:75].[ClH:55].[Cs+:53].[Cs+:54].[N+:10](=[O:11])([O-:12])[c:13]1[cH:14][c:15]([NH2:16])[cH:17][cH:18][cH:19]1.[OH2:63].[Pd+2:68].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][CH2:29][CH2:30][P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1([NH:16][c:15]2[cH:14][c:13]([N+:10](=[O:11])[O-:12])[cH:19][cH:18][cH:17]2)[c:3]([CH:4]=[O:5])[cH:6][cH:7][cH:8][n:9]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 74233-NitroanilineHCID 19660Carbonate IonHCID 812191,3-Bis(diphenylphosphino)propaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 47149512-Bromonicotinaldehyde

Product 1

HCID 121149522-(3-Nitro-phenylamino)-pyridine-3-carbaldehyde

Sources & evidence

ORD record
ord-7ecddb7d2637491bab646cf9ab7d19c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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