Bicarbonate Ion → HCID 178495273, compound

HRID 188457Notes

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 8083Morpholine

HCID 81531Diisopropylethylamine

HCID 684313595-[[2-Tert-butyl-4-(3-methoxypropylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Product 1

HCID 178495273HCID 178495273, compound

Sources & evidence

ORD record: ord-60c7973482004113bb15c8a174e4803c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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