Acetic Acid → HCID 136381726, compound

HRID 310885Notes

Reaction equation

HRID 310885 reaction equation
[BrH:37].[C:42](=[O:43])([OH:44])[O-:45].[CH3:1][O:2][c:3]1[cH:4][n:5][c:6]2[c:7]([S:13][c:14]3[cH:15][cH:16][c:17]([NH:20][c:21]4[n:22][n:23][c:24](-[c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]45)[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:38][C:39](=[O:40])[OH:41].[Na+:46]>>[OH:2][c:3]1[cH:4][n:5][c:6]2[c:7]([S:13][c:14]3[cH:15][cH:16][c:17]([NH:20][c:21]4[n:22][n:23][c:24](-[c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]45)[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 25094551HCID 25094551, compound

Product 1

HCID 136381726HCID 136381726, compound

Sources & evidence

ORD record
ord-3f9e4c39a204449b8c880d5b5c009b92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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