Bicarbonate Ion → HCID 178520867, compound

HRID 2127297Notes

Reaction equation

HRID 2127297 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH3:1][OH:2].[NH:3]1[C:4](=[C:12]([C:13](=[O:14])[c:15]2[cH:16][c:17]([CH:21]3[O:22][C:23]([CH3:26])([CH3:27])[O:24][CH2:25]3)[cH:18][cH:19][cH:20]2)[C:28](=[O:29])[c:30]2[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]2)[NH:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[Na+:53].[OH2:37].[OH2:54].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[NH:3]1[C:4](=[C:12]([C:13](=[O:14])[c:15]2[cH:16][c:17]([CH:21]([OH:22])[CH2:25][OH:24])[cH:18][cH:19][cH:20]2)[C:28](=[O:29])[c:30]2[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]2)[NH:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 178431387HCID 178431387, compound

Product 1

HCID 178520867HCID 178520867, compound

Sources & evidence

ORD record
ord-69f3487d5b3c4acba62f8da5e0826020
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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