Acetic Acid → Ethanesulfonate

HRID 214941

Reaction equation

HRID 214941 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:42][CH:43]([OH:44])[CH3:45].[CH3:5][CH2:6][S:7]([OH:8])(=[O:9])=[O:10].[Cl:11][c:12]1[cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][n:19][c:20]3[cH:21][c:22]([O:29][CH3:30])[c:23]([C:26](=[O:27])[NH2:28])[cH:24][c:25]23)[cH:31][cH:32][c:33]1[NH:34][C:35](=[O:36])[NH:37][CH:38]1[CH2:39][CH2:40]1.[OH2:41]>>[CH3:5][CH2:6][S:7](=[O:8])(=[O:9])[O-:10].[Cl:11][c:12]1[cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][n:19][c:20]3[cH:21][c:22]([O:29][CH3:30])[c:23]([C:26](=[O:27])[NH2:28])[cH:24][c:25]23)[cH:31][cH:32][c:33]1[NH:34][C:35](=[O:36])[NH:37][CH:38]1[CH2:39][CH2:40]1

Participants

7

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 3776IsopropanolHCID 11668Ethanesulfonic acidHCID 9823820Lenvatinib

Product 2

HCID 3717105EthanesulfonateHCID 9823820Lenvatinib

Sources & evidence

ORD record
ord-0ed745615e664bd49d51a67b19c477aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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