Bicarbonate Ion → HCID 178494921, compound

HRID 2343946Notes

Reaction equation

HRID 2343946 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:38](=[O:39])[OH:40])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][n:23][n:24](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[CH2:13]1.[C:65](=[O:66])([O-:67])[OH:68].[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45]1.[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Na+:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:38](=[O:39])[N:44]2[CH2:43][CH2:42][CH2:41][CH2:45]2)[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][n:23][n:24](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[CH2:13]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 31268PyrrolidineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 178494926HCID 178494926, compound

Product 1

HCID 178494921HCID 178494921, compound

Sources & evidence

ORD record
ord-9fa3ac19ae7b4139acf7f656ccef9569
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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