Acetic Acid → HCID 25023595, compound

HRID 99351Notes

Reaction equation

HRID 99351 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][cH:12][c:13]3[c:14]([c:15]2[cH:16]1)[CH2:17][C:18]([CH2:21][CH2:22][C:23]([CH3:24])=[O:25])([CH2:26][CH2:27][F:28])[C:19]3=[O:20].[CH2:29]1[CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl:45][CH2:46][Cl:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][cH:12][c:13]3[c:14]([c:15]2[cH:16]1)[CH2:17][C:18]1([CH2:26][CH2:27][F:28])[C:19]3=[CH:24][C:23](=[O:25])[CH2:22][CH2:21]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 1140TolueneHCID 6344DichloromethaneHCID 8900HeptaneHCID 31268PyrrolidineHCID 59397215HCID 59397215, compound

Product 1

HCID 25023595HCID 25023595, compound

Sources & evidence

ORD record
ord-72d23ba06db74560927ec503e83ae9ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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