Acetate → HCID 15229452, compound

HRID 2327302Notes

Reaction equation

HRID 2327302 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:39][OH:40].[CH3:43][C:44](=[O:45])[OH:46].[CH3:54][C:55](=[O:56])[O-:57].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:29][C:30]([C:31](=[O:32])[O:33][CH3:34])([CH3:35])[CH3:36])[c:9]([S:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][cH:20][cH:21][n:22][cH:23]4)[cH:13][cH:14][c:15]23)[cH:37][cH:38]1.[Li+:42].[NH4+:53].[OH-:41].[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH3:35])[CH3:36])[c:9]([S:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][cH:20][cH:21][n:22][cH:23]4)[cH:13][cH:14][c:15]23)[cH:37][cH:38]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 15229451HCID 15229451, compound

Product 1

HCID 15229452HCID 15229452, compound

Sources & evidence

ORD record
ord-86703c37b8d945a5b55a796cd588e902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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