Acetic Acid → HCID 67219251, compound

HRID 1118637Notes

Reaction equation

HRID 1118637 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[CH3:39][OH:40].[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][c:7]([F:10])[cH:8][cH:9]1.[NH2:11][c:12]1[c:13]2[c:14]([n:15][cH:16][n:17]1)[n:18]([CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1)[cH:19][c:20]2[C:21](=[O:22])[c:23]1[cH:24][c:25]([NH2:29])[cH:26][cH:27][cH:28]1>>[F:1][c:2]1[c:3]([CH2:4][NH:29][c:25]2[cH:24][c:23]([C:21]([c:20]3[c:13]4[c:12]([NH2:11])[n:17][cH:16][n:15][c:14]4[n:18]([CH:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:19]3)=[O:22])[cH:28][cH:27][cH:26]2)[cH:6][c:7]([F:10])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 1376632,5-DifluorobenzaldehydeHCID 11859044(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-phenyl)methanone

Product 1

HCID 67219251HCID 67219251, compound

Sources & evidence

ORD record
ord-3104f1e0af3b49e7ad5b925c40e67135
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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