Water → Trifluoroacetic acid

HRID 953488Notes

Reaction equation

HRID 953488 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[C:9]([NH:13][c:14]2[c:15]([CH3:39])[c:16]3[n:17]([n:18][cH:19][c:20]([C:36]#[N:37])[c:21]3[NH:22][c:23]3[cH:24][cH:25][c:26]([O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:27][cH:28]3)[cH:38]2)=[N:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[Cl:48][CH2:49][Cl:50].[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46].[OH2:47]>>[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46].[N:8]1=[C:9]([NH:13][c:14]2[c:15]([CH3:39])[c:16]3[n:17]([n:18][cH:19][c:20]([C:36]#[N:37])[c:21]3[NH:22][c:23]3[cH:24][cH:25][c:26]([O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:27][cH:28]3)[cH:38]2)[NH:10][CH2:11][CH2:12]1

Participants

6

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 210251732-[3-Cyano-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazin-6-ylamino]-4,5-dihydro-imidazole-1-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 221797146-(4,5-dihydro-1H-imidazol-2-ylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

Sources & evidence

ORD record
ord-074a016fbe834aa199c02569c69faa7e
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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