Acetic Acid → HCID 59239742, compound

HRID 103421Notes

Reaction equation

HRID 103421 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[cH:9][c:10]2-[c:11]1[n:12][c:13]([CH:16]2[NH:17][CH2:18][CH2:19][CH2:20]2)[s:14][cH:15]1.[C:32]([OH:33])(=[O:34])[CH3:35].[CH2:30]=[O:31].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Na+:40].[O-:36][C:37]([OH:38])=[O:39]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[cH:9][c:10]2-[c:11]1[n:12][c:13]([CH:16]2[N:17]([CH3:32])[CH2:18][CH2:19][CH2:20]2)[s:14][cH:15]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 59239728HCID 59239728, compound

Product 1

HCID 59239742HCID 59239742, compound

Sources & evidence

ORD record
ord-2243b70f88be4861aad83e3e0a6f3799
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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