Acetic Acid → HCID 67112027, compound

HRID 1212336Notes

Reaction equation

HRID 1212336 reaction equation
[CH3:34][C:35]([OH:36])=[O:37].[Cl:30][CH2:31][C:32]#[N:33].[Cl:43][CH2:44][Cl:45].[F:1][c:2]1[cH:3][c:4]([C:26]([CH3:27])([CH3:28])[OH:29])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1.[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[F:1][c:2]1[cH:3][c:4]([C:26]([CH3:27])([CH3:28])[NH:33][C:32]([CH2:31][Cl:30])=[O:36])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 7856ChloroacetonitrileHCID 67112059HCID 67112059, compound

Product 1

HCID 67112027HCID 67112027, compound

Sources & evidence

ORD record
ord-bc9c32363b6f42f8b29af53b5fcade9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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