1-Butanol → HCID 178495566, compound

HRID 314860Notes

Reaction equation

HRID 314860 reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:24][c:25]1[c:26]2[c:27]([n:28][cH:29][c:30]1[C:31]([F:32])([F:33])[F:34])[nH:35][cH:36][c:37]2[NH:38][C:39]([CH:40]([CH3:41])[O:42][CH3:43])=[O:44].[NH:1]1[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1.[OH2:50]>>[N:1]1([c:25]2[c:26]3[c:27]([n:28][cH:29][c:30]2[C:31]([F:32])([F:33])[F:34])[nH:35][cH:36][c:37]3[NH:38][C:39]([CH:40]([CH3:41])[O:42][CH3:43])=[O:44])[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 962WaterHCID 81531DiisopropylethylamineHCID 42330413-(Boc-amino)piperidineHCID 67045584N-[4-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxypropanamide

Product 1

HCID 178495566HCID 178495566, compound

Sources & evidence

ORD record
ord-7017c8ccb1914107a2fe63c5b4b109f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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