Dichloromethane → HCID 18613273, compound

HRID 304132Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86586876[4-Cyano-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-(methyl-propyl-amino)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 18613273HCID 18613273, compound

Sources & evidence

ORD record: ord-efe410b1ee1f4800aece36f604d53cb6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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