Acetic Acid → HCID 18442475, compound

HRID 1114383Notes

Reaction equation

HRID 1114383 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:48][C:49](=[O:50])[OH:51].[Cl:44][CH2:45][Cl:46].[Li+:43].[O:1]=[S:2]1(=[O:36])[CH2:3][C:4]([CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:5][N:6]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7]2[c:8]1[cH:9][c:10]([O:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:11]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:12]2.[OH-:42].[OH2:47]>>[O:1]=[S:2]1(=[O:36])[CH2:3][C:4]([CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:5][N:6]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7]2[c:8]1[cH:9][c:10]([O:17][CH2:18][C:19](=[O:20])[OH:21])[c:11]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:12]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 18442476HCID 18442476, compound

Product 1

HCID 18442475HCID 18442475, compound

Sources & evidence

ORD record
ord-d156b65386264660a0fa6470b0f9e3f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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