Hydrochloric Acid → N-[[4-[[3-[2-(4-aminocyclohexen-1-yl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

HRID 113066Notes

Reaction equation

HRID 113066 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[ClH:45].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:11]#[C:12][C:13]3=[CH:14][CH2:15][CH:16]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:17][CH2:18]3)[cH:7][n:8][cH:9][cH:10]2)[cH:27][cH:28][c:29]([NH:31][C:32](=[O:33])[NH:34][C:35]([CH2:36][c:37]2[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]2)=[O:44])[cH:30]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:11]#[C:12][C:13]3=[CH:14][CH2:15][CH:16]([NH2:19])[CH2:17][CH2:18]3)[cH:7][n:8][cH:9][cH:10]2)[cH:27][cH:28][c:29]([NH:31][C:32](=[O:33])[NH:34][C:35]([CH2:36][c:37]2[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]2)=[O:44])[cH:30]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-Dioxane2×HCID 59852858tert-Butyl 4-(2-(4-(2-fluoro-4-(3-(2-(4-fluorophenyl)acetyl)ureido)phenoxy)pyridin-3-yl)ethynyl)cyclohex-3-enylcarbamate

Product 1

HCID 11584215N-[[4-[[3-[2-(4-aminocyclohexen-1-yl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-ff69d827327d4c09a15a6bb7b01b8c43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…