Acetic Acid → N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea

HRID 1542587Notes

Reaction equation

HRID 1542587 reaction equation
[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH2:7]=[O:8].[CH3:41][C:42](=[O:43])[OH:44].[NH2:9][c:10]1[n:11][cH:12][n:13][n:14]2[c:15]1[c:16](-[c:20]1[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([F:40])[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[cH:24][cH:25]1)[c:17]([CH3:19])[cH:18]2>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:7][c:18]1[n:14]2[n:13][cH:12][n:11][c:10]([NH2:9])[c:15]2[c:16](-[c:20]2[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([F:40])[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[cH:24][cH:25]2)[c:17]1[CH3:19]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 8083MorpholineHCID 57758309HCID 57758309, compound

Product 1

HCID 23653357N-{4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea

Sources & evidence

ORD record
ord-405ab2bd9070411d8a42134d5545486f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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