Dimethylacetamide → HCID 178521190, compound

HRID 100909Notes

Reaction equation

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

Participants

Reactant 4

HCID 31374Dimethylacetamide

HCID 84468Trifluoroacetate

HCID 303740(2,4,5-Trichloro-phenylsulfanyl)-acetic acid

HCID 178508096HCID 178508096, compound

Product 1

HCID 178521190HCID 178521190, compound

Sources & evidence

ORD record: ord-4ffa3deb6f6746f1bb95077a4769a93b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…