Acetic Acid → HCID 68868291, compound

HRID 307996Notes

Reaction equation

HRID 307996 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[Cl:47][CH2:48][Cl:49].[ClH:43].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:12](-[c:15]3[cH:16][cH:17][c:18]4[c:19]([n:20]3)[n:21]([CH2:29][CH:30]([CH3:31])[CH3:32])[c:22]([N:24]=[CH:25][N:26]([CH3:27])[CH3:28])[n:23]4)[n:13]2[CH3:14])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:45].[OH-:44].[OH2:46]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:12](-[c:15]3[cH:16][cH:17][c:18]4[c:19]([n:20]3)[n:21]([CH2:29][CH:30]([CH3:31])[CH3:32])[c:22]([NH2:24])[n:23]4)[n:13]2[CH3:14])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 68993390HCID 68993390, compound

Product 1

HCID 68868291HCID 68868291, compound

Sources & evidence

ORD record
ord-4aced1f30a7f4f318c03a202d0e9bdb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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