Acetate → HCID 23152369, compound

HRID 1575658Notes

Reaction equation

HRID 1575658 reaction equation
[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][C:34](=[O:35])[OH:36].[Cl:37][CH2:38][C:39](=[O:40])[Cl:41].[NH2:1][c:2]1[c:3](-[c:9]2[nH:10][c:11]3[cH:12][c:13]([C:24](=[O:25])[O:26][CH3:27])[cH:14][cH:15][c:16]3[c:17]2[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[Na+:28].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[NH:1]([c:2]1[c:3](-[c:9]2[nH:10][c:11]3[cH:12][c:13]([C:24](=[O:25])[O:26][CH3:27])[cH:14][cH:15][c:16]3[c:17]2[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1)[C:39]([CH2:38][Cl:37])=[O:40]

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 23152555HCID 23152555, compound

Product 1

HCID 23152369HCID 23152369, compound

Sources & evidence

ORD record
ord-a971aaab1d034c199bae9896cf49a656
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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