Dimethyl Sulfoxide → HCID 58054397, compound

HRID 1544900Notes

Reaction equation

HRID 1544900 reaction equation
[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][nH:9][c:10]2[cH:11][cH:12][cH:13]1.[CH3:64][S:65]([CH3:66])=[O:67].[Cl:15][c:16]1[s:17][c:18]([S:19]([N:20]([S:21]([c:22]2[s:23][c:24]([Cl:25])[cH:26][cH:27]2)(=[O:28])=[O:29])[c:30]2[c:31]3[c:32]([cH:33][cH:34][cH:35][c:36]3[O:37][CH3:38])[n:39]([C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:47]2)(=[O:48])=[O:49])[cH:50][cH:51]1.[Cl:52][CH2:53][c:54]1[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]1.[K+:2].[OH-:1].[OH2:68]>>[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][n:9]([CH2:53][c:54]3[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]3)[c:10]2[cH:11][cH:12][cH:13]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 81740Veratryl chlorideHCID 185260534-Methoxy-1H-indazol-3-amineHCID 580544561,1-dimethylethyl 3-{bis[(5-chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazole-1-carboxylate

Product 1

HCID 58054397HCID 58054397, compound

Sources & evidence

ORD record
ord-333f3819dda147d5be0e472bcff6379c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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