Dimethylformamide → HCID 58712010, compound

HRID 1559617Notes

Reaction equation

HRID 1559617 reaction equation
[C:23](#[N:24])[c:25]1[c:26]([S:31][c:32]2[c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39][cH:40]2)[cH:27][cH:28][cH:29][cH:30]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1)[C:34]([c:33]1[c:32]([S:31][c:26]2[c:25]([C:23]#[N:24])[cH:30][cH:29][cH:28][cH:27]2)[cH:40][cH:39][cH:38][cH:37]1)=[O:35]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 6881442-(2-Cyanophenylthio)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 534044296-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

Product 1

HCID 58712010HCID 58712010, compound

Sources & evidence

ORD record
ord-ca2792d13d54489d9c6214cf2484d4c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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