Acetate → 7-[(2,5-dichloropyridin-4-yl)amino]-2-methyl-3H-isoindol-1-one

HRID 2347908Notes

Reaction equation

HRID 2347908 reaction equation
[C:64](=[O:65])([O-:66])[O-:67].[CH3:22][C:23]1([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]([P:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]2[O:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][c:50]2[P:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[c:6]([I:8])[cH:7]1.[Cs+:68].[Cs+:69].[NH2:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[c:19]1[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]2.[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[Pd+2:76]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[c:6]([NH:10][c:11]2[cH:12][cH:13][cH:14][c:15]3[c:19]2[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]3)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 450887127-Amino-2-methyl-2,3-dihydro-1H-isoindol-1-oneHCID 534009652,5-Dichloro-4-iodopyridine

Product 1

HCID 866551387-[(2,5-dichloropyridin-4-yl)amino]-2-methyl-3H-isoindol-1-one

Sources & evidence

ORD record
ord-87bae796318b44e6a37ad52baa087eda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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