Oxalic Acid → Oxalic Acid

HRID 1131298Notes

Reaction equation

HRID 1131298 reaction equation
[C:15]([n:16]1[cH:17][cH:18][n:19][cH:20]1)([n:21]1[cH:22][cH:23][n:24][cH:25]1)=[O:26].[C:27]([C:28](=[O:29])[OH:30])(=[O:31])[OH:32].[C:33]([OH:34])(=[O:35])[C:36]([OH:37])=[O:38].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[NH2:39][CH:40]1[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][NH:48][C:49](=[O:50])[c:51]2[n:52][n:53]([CH:60]([CH3:61])[CH3:62])[c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]23)[CH2:44][CH2:45]1.[OH:1][C:2]12[CH2:3][C:4]3([C:12](=[O:13])[OH:14])[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2>>[C:27]([C:28](=[O:29])[OH:30])(=[O:31])[OH:32].[OH:1][C:2]12[CH2:3][C:4]3([C:12](=[O:13])[NH:39][CH:40]4[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][NH:48][C:49](=[O:50])[c:51]5[n:52][n:53]([CH:60]([CH3:61])[CH3:62])[c:54]6[cH:55][cH:56][cH:57][cH:58][c:59]56)[CH2:44][CH2:45]4)[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2

Participants

7

Reactant 5

HCID 971Oxalic Acid2×HCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 27365183-Hydroxyadamantane-1-carboxylic acidHCID 9840452N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

Product 2

HCID 971Oxalic AcidHCID 9870888N-[2-[4-[(3-hydroxyadamantane-1-carbonyl)amino]piperidin-1-yl]ethyl]-1-propan-2-ylindazole-3-carboxamide

Sources & evidence

ORD record
ord-812af4edb32e44b7b960ebcd1d4bbee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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