Formaldehyde → HCID 66711266, compound

HRID 2332017Notes

Reaction equation

HRID 2332017 reaction equation
[CH2:26]=[O:27].[CH3:1][O:2][c:3]1[cH:4][c:5]([O:12][CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[N+:9]([O-:10])=[O:11].[CH3:28][O:29][c:30]1[cH:31][c:32]([O:33][CH:34]2[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]2)[cH:41][cH:42][c:43]1[N+:44]([O-:45])=[O:46].[CH3:47][O:48][c:49]1[cH:50][c:51]([O:52][CH:53]2[CH2:54][CH2:55][N:56]([CH3:57])[CH2:58][CH2:59]2)[cH:60][cH:61][c:62]1[NH2:63].[CH3:64][S:65](=[O:66])[c:67]1[n:68][n:69]2[c:70]([cH:71][n:72]1)[cH:73][cH:74][c:75]2-[c:76]1[c:77]([O:82][CH3:83])[cH:78][cH:79][cH:80][cH:81]1.[OH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25]>>[CH3:28][O:29][c:30]1[cH:31][c:32]([O:33][CH:34]2[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]2)[cH:41][cH:42][c:43]1[NH:44][c:67]1[n:68][n:69]2[c:70]([cH:71][n:72]1)[cH:73][cH:74][c:75]2-[c:76]1[c:77]([O:82][CH3:83])[cH:78][cH:79][cH:80][cH:81]1

Participants

7

Reactant 6

HCID 712FormaldehydeHCID 6422Trifluoroacetic acidHCID 552341692-Methoxy-4-[(1-methylpiperidin-4-yl)oxy]anilineHCID 574161554-(3-Methoxy-4-nitrophenoxy)-1-methylpiperidineHCID 58577221HCID 58577221, compoundHCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66711266HCID 66711266, compound

Sources & evidence

ORD record
ord-3e08ab9e1df6419cadefb0e098b9aed2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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