Acetic Acid → HCID 66759118, compound

HRID 1213332Notes

Reaction equation

HRID 1213332 reaction equation
[CH3:50][C:51](=[O:52])[OH:53].[Cl+:46]([O-:47])[O-:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:40])[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[CH2:18][c:19]4[c:20]([cH:28][cH:29][cH:30][c:31]4-[c:32]4[c:33]([CH:38]=[O:39])[cH:34][cH:35][cH:36][cH:37]4)[O:21][c:22]4[n:23][cH:24][cH:25][cH:26][c:27]43)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:49].[OH2:54].[S:41]([OH:42])([NH2:43])(=[O:44])=[O:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:40])[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[CH2:18][c:19]4[c:20]([cH:28][cH:29][cH:30][c:31]4-[c:32]4[c:33]([C:38](=[O:39])[OH:42])[cH:34][cH:35][cH:36][cH:37]4)[O:21][c:22]4[n:23][cH:24][cH:25][cH:26][c:27]43)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 5987Sulfamic AcidHCID 197148ChloriteHCID 74020195HCID 74020195, compound

Product 1

HCID 66759118HCID 66759118, compound

Sources & evidence

ORD record
ord-b26cb622efa548209c02e23cf70ddc67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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