Bicarbonate Ion → 5-{8-[4-(2-Oxo-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}-2,3-dihydro-isoindol-1-one

HRID 300204Notes

Reaction equation

HRID 300204 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][C:10](=[O:40])[N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[c:22]4[n:23]([c:24](-[c:27]5[cH:28][c:29]6[c:33]([cH:34][cH:35]5)[C:32](=[O:36])[NH:31][CH2:30]6)[cH:25][n:26]3)[n:37][cH:38][n:39]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:53][CH2:54][Cl:55].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[NH:8]1[CH2:9][C:10](=[O:40])[N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[c:22]4[n:23]([c:24](-[c:27]5[cH:28][c:29]6[c:33]([cH:34][cH:35]5)[C:32](=[O:36])[NH:31][CH2:30]6)[cH:25][n:26]3)[n:37][cH:38][n:39]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 670475993-Oxo-4-{4-[5-(1-oxo-2,3-dihydro-1H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 248897885-{8-[4-(2-Oxo-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}-2,3-dihydro-isoindol-1-one

Sources & evidence

ORD record
ord-95a779328f8746578a6f2b9c87d985f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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