Dimethyl Sulfoxide → HCID 24966199, compound

HRID 135905Notes

Reaction equation

HRID 135905 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:53][S:54](=[O:55])[CH3:56].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[cH:10][cH:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1.[OH2:52].[n:29]1[n:30][c:31]([NH:35][C:36]([O:37][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:38])[cH:32][cH:33][cH:34]1>>[F:8][c:9]1[cH:10][cH:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][N:26]([C:36]([NH:35][c:31]4[n:30][n:29][cH:34][cH:33][cH:32]4)=[O:37])[CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 20150036Phenyl pyridazin-3-ylcarbamateHCID 66876198HCID 66876198, compound

Product 1

HCID 24966199HCID 24966199, compound

Sources & evidence

ORD record
ord-d05a9f13d7e840cc9aeb15b29261196a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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