Acetic Acid → Lithium ion

HRID 188717

Reaction equation

HRID 188717 reaction equation
[C:33](=[O:35])([O:36][CH:37]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[CH2:43][Cl:34])[CH3:44].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[CH3:31][OH:32].[CH3:45][C:46](=[O:47])[OH:48].[Li+:30].[O:1]=[S:2]1(=[O:24])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:23])[cH:10][c:11]([NH:15][C:16](=[O:17])[O:18][CH2:19][CH:20]([CH3:21])[CH3:22])[cH:12][c:13]2[F:14])[CH2:6][CH2:7]1.[OH2:54]>>[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[Li+:30].[O:1]=[S:2]1(=[O:24])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:23])[cH:10][c:11]([N:15]3[C:33](=[O:35])[O:36][CH:37]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[CH2:43]3)[cH:12][c:13]2[F:14])[CH2:6][CH2:7]1

Participants

11

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 45749132-Methylpropan-2-olateHCID 53061521-Acetamido-3-chloropropan-2-yl acetateHCID 9925157Isobutyl 4-(1,1-dioxido-4-thiomorpholinyl)-3,5-difluorophenylcarbamate

Product 3

HCID 28486Lithium ionHCID 45749132-Methylpropan-2-olateHCID 23432887HCID 23432887, compound

Sources & evidence

ORD record
ord-2a2ad353b3154ce7aa8c0e98de70dcf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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