Dichloromethane → 1-(3-tert-Butyl-isoxazol-5-yl)-3-{5-fluoro-2-[1-(2-piperazin-1-yl-ethyl)-1H-indazol-5-yloxy]-benzyl}-urea

HRID 823803Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 674096104-[2-(5-{2-[3-(3-tert-Butyl-isoxazol-5-yl)-ureidomethyl]-4-fluorophenoxy}-indazol-1-yl)-ethyl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 426422121-(3-tert-Butyl-isoxazol-5-yl)-3-{5-fluoro-2-[1-(2-piperazin-1-yl-ethyl)-1H-indazol-5-yloxy]-benzyl}-urea

Sources & evidence

ORD record: ord-94b88a07e6dd40e5a41371cff95e14a3
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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