Acetic Acid → 2-(1-(2-(2-oxo-1,2,3,4-tetrahydroquinolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetic acid

HRID 1138428Notes

Reaction equation

HRID 1138428 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Li+:37].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][c:7]([NH:12][c:13]3[n:14][c:15]([N:22]4[CH2:23][CH2:24][CH:25]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:26][CH2:27]4)[c:16]4[c:17]([n:18]3)[nH:19][cH:20][cH:21]4)[cH:8][c:9]2[CH2:10][CH2:11]1.[OH-:36]>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][c:7]([NH:12][c:13]3[n:14][c:15]([N:22]4[CH2:23][CH2:24][CH:25]([CH2:28][C:29](=[O:30])[OH:31])[CH2:26][CH2:27]4)[c:16]4[c:17]([n:18]3)[nH:19][cH:20][cH:21]4)[cH:8][c:9]2[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 57990317butyl 2-(1-(2-(2-oxo-1,2,3,4-tetrahydroquinolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetate

Product 1

HCID 579903442-(1-(2-(2-oxo-1,2,3,4-tetrahydroquinolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetic acid

Sources & evidence

ORD record
ord-8e8fc3ac40ce4101b2adffc218b0fc1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…