Acetate → HCID 23152565, compound

HRID 2335005Notes

Reaction equation

HRID 2335005 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12]2[c:13]([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[c:14](-[c:18]3[c:19]([NH2:25])[cH:20][c:21]([CH3:24])[cH:22][cH:23]3)[nH:15][c:16]2[cH:17]1.[CH3:33][C:34](=[O:35])[O-:36].[CH3:37][C:38](=[O:39])[OH:40].[Cl:41][CH2:42][C:43](=[O:44])[Cl:45].[Na+:32].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12]2[c:13]([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[c:14](-[c:18]3[c:19]([NH:25][C:43]([CH2:42][Cl:41])=[O:44])[cH:20][c:21]([CH3:24])[cH:22][cH:23]3)[nH:15][c:16]2[cH:17]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 23152927HCID 23152927, compound

Product 1

HCID 23152565HCID 23152565, compound

Sources & evidence

ORD record
ord-282c74fcdfb0435397ac383239c741f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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