Dimethylformamide → N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)-1,3-benzodioxole-5-carboxamide

HRID 125624

Reaction equation

HRID 125624 reaction equation
[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[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.[O:23]1[CH2:24][O:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[cH:31]2.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]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:32]([c:30]1[cH:29][cH:28][c:27]2[c:26]([cH:31]1)[O:25][CH2:24][O:23]2)=[O:33]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 71961,3-Benzodioxole-5-carboxylic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 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 58712003N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)-1,3-benzodioxole-5-carboxamide

Sources & evidence

ORD record
ord-b2100cf5b3454bf494e6b23b1c3f8a54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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