Dimethylformamide → 5'-(6-(Indoline-1-carbonyl)pyrimidin-4-ylamino)-3-methyl-1',3'-dihydrospiro[imidazolidin-4,2'-inden]-2,5-dione

HRID 1233331Notes

Reaction equation

HRID 1233331 reaction equation
[B-:43]([F:44])([F:45])([F:46])[F:47].[CH2:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[NH:35]1.[CH3:1][N:2]1[C:3](=[O:26])[NH:4][C:5](=[O:25])[C:6]12[CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:15][c:16]3[cH:17][c:18]([C:22](=[O:23])[OH:24])[n:19][cH:20][n:21]3)[cH:12][c:13]1[CH2:14]2.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH3:1][N:2]1[C:3](=[O:26])[NH:4][C:5](=[O:25])[C:6]12[CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:15][c:16]3[cH:17][c:18]([C:22](=[O:24])[N:35]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[n:19][cH:20][n:21]3)[cH:12][c:13]1[CH2:14]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 10328IndolineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 581175346-(3-Methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidin-4,2'-inden]-5'-ylamino)pyrimidine-4-carboxylic acid

Product 1

HCID 426102585'-(6-(Indoline-1-carbonyl)pyrimidin-4-ylamino)-3-methyl-1',3'-dihydrospiro[imidazolidin-4,2'-inden]-2,5-dione

Sources & evidence

ORD record
ord-3ca7a341985f4df8b3624abd8382b700
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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