Acetate → HCID 58109530, compound

HRID 1238923Notes

Reaction equation

HRID 1238923 reaction equation
[C:31]([O-:32])(=[O:33])[CH3:34].[C:36]([OH:37])(=[O:38])[CH3:39].[CH3:52][C:53]#[N:54].[Cl:40][n:41]1[c:42](=[O:43])[n:44]([Cl:45])[c:46](=[O:47])[n:48]([Cl:49])[c:50]1=[O:51].[Cl:56][CH2:57][Cl:58].[F:1][c:2]1[c:3]([C:8]2([CH2:28][CH2:29][OH:30])[CH2:9][CH2:10][N:11]([c:15]3[n:16][c:17](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[cH:18][cH:19][cH:20]3)[C:12](=[O:14])[O:13]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:35].[OH2:55]>>[F:1][c:2]1[c:3]([C:8]2([CH2:28][CH2:29][OH:30])[CH2:9][CH2:10][N:11]([c:15]3[n:16][c:17](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[c:18]([Cl:40])[cH:19][cH:20]3)[C:12](=[O:14])[O:13]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6909Trichloroisocyanuric AcidHCID 58109406HCID 58109406, compound

Product 1

HCID 58109530HCID 58109530, compound

Sources & evidence

ORD record
ord-53768ec00ae5469fbf84efee53da05c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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