Dimethyl Sulfoxide → HCID 59700095, compound

HRID 2159517Notes

Reaction equation

HRID 2159517 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][nH:11][c:12]3[n:13][cH:14][c:15](-[c:18]4[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:51][N:52]([CH2:53][CH2:54][NH:55][CH3:56])[CH3:57].[CH3:63][S:64]([CH3:65])=[O:66].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][nH:11][c:12]3[n:13][cH:14][c:15](-[c:18]4[cH:19][c:20]([C:21](=[O:23])[N:55]([CH2:54][CH2:53][N:52]([CH3:51])[CH3:57])[CH3:56])[cH:24][cH:25][cH:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 673381,2-Ethanediamine, N1,N1,N2-trimethyl-HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59700160HCID 59700160, compound

Product 1

HCID 59700095HCID 59700095, compound

Sources & evidence

ORD record
ord-26e878e137e54421a48dbbd3bee4b23c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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