Bicarbonate Ion → HCID 22724145, compound

HRID 1121046Notes

Reaction equation

HRID 1121046 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Na+:50].[c:1]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][c:3](-[n:7]2[c:8]3[c:9]([n:10][c:11]([CH2:14][c:15]4[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]4)[c:12]2=[O:13])[cH:22][cH:23][cH:24][n:25]3)[cH:4][cH:5][cH:6]1>>[c:1]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][c:3](-[n:7]2[c:8]3[c:9]([n:10][c:11]([CH2:14][c:15]4[cH:16][cH:17][c:18]([O:21][C:40]([CH3:39])=[O:41])[cH:19][cH:20]4)[c:12]2=[O:13])[cH:22][cH:23][cH:24][n:25]3)[cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 312751,4-DioxaneHCID 22724147HCID 22724147, compound

Product 1

HCID 22724145HCID 22724145, compound

Sources & evidence

ORD record
ord-f4012f801b1d469ca89349ea9cd80a1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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