Acetate → HCID 9938116, compound

HRID 1124068Notes

Reaction equation

HRID 1124068 reaction equation
[CH2:48]([Cl:49])[Cl:50].[CH2:53]([Cl:54])[Cl:55].[CH3:44][C:45](=[O:46])[O-:47].[CH3:51][OH:52].[CH3:56][OH:57].[CH:1]1([CH2:4][n:5]2[c:6](=[O:42])[n:7]([CH2:34][c:35]3[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]3)[c:8](=[O:33])[c:9]3[nH:10][c:11]([CH2:14][c:15]4[cH:16][cH:17][c:18]([NH:21][S:22](=[O:23])(=[O:24])[c:25]5[c:26]([CH3:32])[n:27][n:28]([CH3:31])[c:29]5[Cl:30])[cH:19][cH:20]4)[n:12][c:13]23)[CH2:2][CH2:3]1.[Na+:43]>>[CH:1]1([CH2:4][n:5]2[c:6](=[O:42])[n:7]([CH2:34][c:35]3[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]3)[c:8](=[O:33])[c:9]3[nH:10][c:11]([CH2:14][c:15]4[cH:16][cH:17][c:18]([NH:21][S:22](=[O:23])(=[O:24])[c:25]5[c:26]([CH3:32])[n:27][n:28]([CH3:31])[cH:29]5)[cH:19][cH:20]4)[n:12][c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 175AcetateHCID 887Methanol2×HCID 923Sodium ionHCID 6344Dichloromethane2×HCID 10258200HCID 10258200, compound

Product 1

HCID 9938116HCID 9938116, compound

Sources & evidence

ORD record
ord-c27f9847c1e34bf98b553851cc43b373
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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