Acetic Acid → HCID 57955273, compound

HRID 2154873Notes

Reaction equation

HRID 2154873 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:33][C:34](=[O:35])[OH:36].[CH3:42][CH2:43][OH:44].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:13]1[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]3)[cH:17][cH:18]1)[c:9]([CH:11]=[CH2:12])[cH:10]2>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:13]1[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]3)[cH:17][cH:18]1)[c:9]([CH2:11][CH3:12])[cH:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 8028TetrahydrofuranHCID 577583301-[4-(4-Amino-6-vinylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea

Product 1

HCID 57955273HCID 57955273, compound

Sources & evidence

ORD record
ord-7cb6c9e066d5439a852611a5eae227a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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