Acetate → HCID 23152807, compound

HRID 2331746Notes

Reaction equation

HRID 2331746 reaction equation
[C:42](=[O:43])([O-:44])[OH:45].[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][c:5]([F:8])[cH:6][cH:7]1.[Na+:28].[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[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][c:5]([F:8])[cH:6][cH:7]1)[C:39]([CH2:38][Cl:37])=[O:40]

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 23152898HCID 23152898, compound

Product 1

HCID 23152807HCID 23152807, compound

Sources & evidence

ORD record
ord-86e4a5c9aa9c48a2bcc4902891400b63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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