Ethyl Acetate → HCID 68910226, compound

HRID 1144012Notes

Reaction equation

HRID 1144012 reaction equation
[CH2:18]([CH2:19][CH2:20][CH2:21][CH3:22])[CH:23]1[CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([CH2:29]1)[NH:30]2.[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:12][CH:13]([CH2:14][I:15])[CH3:16])[C:8](=[O:11])[CH2:9][O:10]2>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:12][CH:13]([CH2:14][N:30]1[CH:25]3[CH2:24][CH:23]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH2:29][CH:28]1[CH2:27][CH2:26]3)[CH3:16])[C:8](=[O:11])[CH2:9][O:10]2

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 219898523-Pentyl-8-azabicyclo[3.2.1]octaneHCID 689113056-Fluoro-4-(3-iodo-2-methylpropyl)-1,4-benzoxazin-3-one

Product 1

HCID 68910226HCID 68910226, compound

Sources & evidence

ORD record
ord-deab8286102646ffa69c5fa51ada1a32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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