4-Phenylbutyric Acid → HCID 24983523, compound

HRID 2339605Notes

Reaction equation

HRID 2339605 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[Cl:20][C:21]([O:22][CH2:23][CH:24]([CH3:25])[CH3:26])=[O:27].[F:28][c:29]1[cH:30][c:31]([NH2:32])[cH:33][cH:34][c:35]1[O:36][c:37]1[c:38]2[c:39]([n:40][cH:41][cH:42]1)[cH:43][cH:44][s:45]2.[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:12])[NH:32][c:31]2[cH:30][c:29]([F:28])[c:35]([O:36][c:37]3[c:38]4[c:39]([n:40][cH:41][cH:42]3)[cH:43][cH:44][s:45]4)[cH:34][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 47754-Phenylbutyric AcidHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 594244303-Fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)aniline

Product 1

HCID 24983523HCID 24983523, compound

Sources & evidence

ORD record
ord-9da5e9165a774a18821906d93647ac7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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