Trifluoroacetic acid → N-[4-chloro-3-(pyrrolidin-2-ylmethoxy)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

HRID 2320819Notes

Reaction equation

HRID 2320819 reaction equation
[C:8]([O:9][C:10](=[O:11])[N:15]1[CH:16]([CH2:20][O:21][c:22]2[c:23]([Cl:48])[cH:24][cH:25][c:26]([NH:28][c:29]3[n:30][n:31]4[c:32]([cH:33][n:34]3)[cH:35][cH:36][c:37]4-[c:38]3[cH:39][c:40]([S:44](=[O:45])(=[O:46])[CH3:47])[cH:41][cH:42][cH:43]3)[cH:27]2)[CH2:17][CH2:18][CH2:19]1)([CH3:12])([CH3:13])[CH3:14].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH:15]1[CH:16]([CH2:20][O:21][c:22]2[c:23]([Cl:48])[cH:24][cH:25][c:26]([NH:28][c:29]3[n:30][n:31]4[c:32]([cH:33][n:34]3)[cH:35][cH:36][c:37]4-[c:38]3[cH:39][c:40]([S:44](=[O:45])(=[O:46])[CH3:47])[cH:41][cH:42][cH:43]3)[cH:27]2)[CH2:17][CH2:18][CH2:19]1

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 66711975Tert-butyl 2-[[2-chloro-5-[[7-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 66712224N-[4-chloro-3-(pyrrolidin-2-ylmethoxy)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

Sources & evidence

ORD record
ord-8374a217fbab4a7e9cbe8ff841727b21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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