Acetic Acid → HCID 20366154, compound

HRID 1550165Notes

Reaction equation

HRID 1550165 reaction equation
[CH3:33][C:34]([OH:35])=[O:36].[Cl:37][c:38]1[cH:39][cH:40][cH:41][c:42]([C:43]([O:44][OH:45])=[O:46])[cH:47]1.[OH2:48].[OH:1][C:2](=[O:3])[C:4]1([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][C:12]([C:13]#[N:14])([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:8][CH2:9]1>>[OH:1][C:2](=[O:3])[C:4]1([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:5][CH2:6][N+:7]([CH2:10][CH2:11][C:12]([C:13]#[N:14])([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([O-:35])[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 34328DifenoxinHCID 70297m-Chloroperbenzoic acid

Product 1

HCID 20366154HCID 20366154, compound

Sources & evidence

ORD record
ord-6fc2282f1fee459ba0fb88a3b4fa9815
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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