Acetic Acid → HCID 178437499, compound

HRID 103452Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 679Dimethyl Sulfoxide

HCID 660562,6-Dimethylpiperazine

HCID 57819366N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-[(3'-formyl-3-biphenylyl)methyl]-2,6-pyridinedicarboxamide

Product 1

HCID 178437499HCID 178437499, compound

Sources & evidence

ORD record: ord-dc7355a705a84021ace70a49bbace09c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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