Chloride → HCID 59015863, compound

HRID 685439Notes

Reaction equation

HRID 685439 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH3:7])([O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:13][cH:14]1)[CH3:21].[CH3:28][S:29]([OH:30])(=[O:31])=[O:32].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl-:53].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[F:33][c:34]1[cH:35][c:36]([CH2:41][N:42]([NH2:43])[C:44](=[O:45])[NH2:46])[cH:37][c:38]([F:40])[cH:39]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH3:7])([O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][C:18](=[O:20])[NH:43][N:42]([CH2:41][c:36]2[cH:35][c:34]([F:33])[cH:39][c:38]([F:40])[cH:37]2)[C:44](=[O:45])[NH2:46])[cH:13][cH:14]1)[CH3:21]

Participants

9

Reactant 8

HCID 312ChlorideHCID 1049PyridineHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 23584129HCID 23584129, compoundHCID 59016012HCID 59016012, compound

Product 1

HCID 59015863HCID 59015863, compound

Sources & evidence

ORD record
ord-0a10ad87ad144f10b2064d26164a02ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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