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

HRID 138466Notes

Reaction equation

HRID 138466 reaction equation
[B-:49]([F:50])([F:51])([F:52])[F:53].[CH3:30][CH:31]1[CH2:32][NH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]21.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH: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:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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:33]4[CH2:32][CH:31]([CH3:30])[c:39]5[c:34]4[cH:35][cH:36][cH:37][cH:38]5)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 5245043-MethylindolineHCID 581174936-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carboxylic acid

Product 1

HCID 498010895-(6-(3-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-2b766542d69f4b988594073370e7b6da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…