Acetic Acid → HCID 66622922, compound

HRID 1114548Notes

Reaction equation

HRID 1114548 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][C:46]([CH3:47])=[O:48].[Cl:49][CH2:50][Cl:51].[cH:1]1[n:2][c:3]([NH:11][C:12]([O:13][CH2:14][CH:15]([CH2:16][CH2:17][C:18]([N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)=[O:25])[N:26]([C:27](=[O:28])[NH:29][CH2:30][c:31]2[c:32]([Cl:38])[c:33]([F:37])[cH:34][cH:35][cH:36]2)[CH3:39])=[O:40])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][c:3]([NH:11][C:12]([O:13][CH2:14][CH:15]([CH2:16][CH2:17][C:18]([N:19]2[CH2:20][CH2:21][N:22]([CH:46]([CH3:45])[CH3:47])[CH2:23][CH2:24]2)=[O:25])[N:26]([C:27](=[O:28])[NH:29][CH2:30][c:31]2[c:32]([Cl:38])[c:33]([F:37])[cH:34][cH:35][cH:36]2)[CH3:39])=[O:40])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 180AcetoneHCID 6344DichloromethaneHCID 66622614HCID 66622614, compound

Product 1

HCID 66622922HCID 66622922, compound

Sources & evidence

ORD record
ord-b9e37da1efd14f829c9789ea57253545
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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