Bicarbonate Ion → HCID 178449392, compound

HRID 292365Notes

Reaction equation

HRID 292365 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[c:22]([NH:31][CH2:32][c:33]3[o:34][cH:35][cH:36][n:37]3)[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1.[C:67](=[O:68])([O-:69])[OH:70].[CH2:51]1[CH2:52][O:53][CH2:54][CH2:55][NH:56]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[Na+:71].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]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:56]2[CH2:51][CH2:52][O:53][CH2:54][CH2:55]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][c:33]3[o:34][cH:35][cH:36][n:37]3)[n:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[n:25][cH:26]2)[CH2:13]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8083MorpholineHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 178449393HCID 178449393, compound

Product 1

HCID 178449392HCID 178449392, compound

Sources & evidence

ORD record
ord-1456feb14db940c58fd15590cf8b7b14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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