Hydrochloric Acid → 5-(6-(6-methylindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

HRID 176735Notes

Reaction equation

HRID 176735 reaction equation
[B-:50]([F:51])([F:52])([F:53])[F:54].[CH3:31][c:32]1[cH:33][cH:34][c:35]2[c:39]([cH:40]1)[NH:38][CH2:37][CH2:36]2.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:1].[ClH:30].[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:29])[N:38]4[CH2:37][CH2:36][c:35]5[cH:34][cH:33][c:32]([CH3:31])[cH:40][c:39]54)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 122033306-methyl-2,3-dihydro-1H-indoleHCID 581174936-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carboxylic acid

Product 1

HCID 498016745-(6-(6-methylindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

Sources & evidence

ORD record
ord-6ebc8016b9ec4848acdb0ab29fa76f09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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