O-Phenylenediamine → Ibcasertib

HRID 157312Notes

Reaction equation

HRID 157312 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][c:20]([C:24](=[O:25])[OH:26])[c:21]4[cH:22][cH:23]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[c:27]1([NH2:34])[c:28]([NH2:33])[cH:29][cH:30][cH:31][cH:32]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][c:20]([C:24](=[O:25])[NH:34][c:27]5[c:28]([NH2:33])[cH:29][cH:30][cH:31][cH:32]5)[c:21]4[cH:22][cH:23]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1

Participants

3

Reactant 2

HCID 7243O-PhenylenediamineHCID 24822772HCID 24822772, compound

Product 1

HCID 49779393Ibcasertib

Sources & evidence

ORD record
ord-43e1097896114de4bb0e4bd509d4e6c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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