Dimethyl Sulfoxide → HCID 169543852, compound

HRID 2151080Notes

Reaction equation

HRID 2151080 reaction equation
[CH3:14][S:15]([CH3:16])=[O:17].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:18][c:19]1[c:20]([NH:25][CH2:26][CH:27]([OH:28])[CH:29]2[CH:30]=[C:31]([CH2:39][O:40][C:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[CH:32]3[O:33][C:34]([CH3:37])([CH3:38])[O:35][CH:36]23)[n:21][cH:22][cH:23][n:24]1.[Cl:69][CH2:70][Cl:71].[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13]>>[Cl:18][c:19]1[c:20]([NH:25][CH2:26][C:27](=[O:28])[CH:29]2[CH:30]=[C:31]([CH2:39][O:40][C:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[CH:32]3[O:33][C:34]([CH3:37])([CH3:38])[O:35][CH:36]23)[n:21][cH:22][cH:23][n:24]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 9845Trifluoroacetic anhydrideHCID 81531DiisopropylethylamineHCID 178431238HCID 178431238, compound

Product 1

HCID 169543852HCID 169543852, compound

Sources & evidence

ORD record
ord-8c747115ad82474a90c5f3e469194716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…