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

HRID 138712Notes

Reaction equation

HRID 138712 reaction equation
[C:73](=[O:74])([O-:75])[O-:76].[CH3:31][C:32]1([CH3:33])[c:34]2[cH:35][cH:36][cH:37][c:38]([P:39]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]2[O:53][c:54]2[c:55]1[cH:56][cH:57][cH:58][c:59]2[P:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[c:6]([I:8])[cH:7]1.[Cs+:77].[Cs+:78].[NH2:10][c:11]1[cH:12][cH:13][c:14]([N:22]2[CH2:23][CH2:24][N:25]([CH:28]([CH3:29])[CH3:30])[CH2:26][CH2:27]2)[c:15]2[c:19]1[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]2.[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[Pd+2:79]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[c:6]([NH:10][c:11]2[cH:12][cH:13][c:14]([N:22]3[CH2:23][CH2:24][N:25]([CH:28]([CH3:29])[CH3:30])[CH2:26][CH2:27]3)[c:15]3[c:19]2[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]3)[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 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 534009652,5-Dichloro-4-iodopyridineHCID 598492047-amino-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-3H-isoindol-1-one

Product 1

HCID 866551407-[(2,5-dichloropyridin-4-yl)amino]-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-3H-isoindol-1-one

Sources & evidence

ORD record
ord-a4517b5a781e4996a1d17b6c3820339c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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