Hydrochloric Acid → Sufugolix

HRID 208587Notes

Reaction equation

[CH3:2][O:3][NH2:4].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][C:72]([N:73]([CH3:74])[CH3:75])=[O:76].[Cl:11][C:12](=[O:13])[O:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[ClH:1].[NH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH2:54][N:55]([CH3:56])[CH2:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:30]3[c:31]([n:32]([CH2:44][c:45]4[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]4[F:51])[c:33](=[O:43])[n:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:35]3=[O:36])[s:53]2)[cH:26][cH:27]1.[OH2:77].[cH:5]1[cH:6][cH:7][n:8][cH:9][cH:10]1>>[CH3:2][O:3][NH:4][C:12](=[O:13])[NH:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH2:54][N:55]([CH3:56])[CH2:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:30]3[c:31]([n:32]([CH2:44][c:45]4[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]4[F:51])[c:33](=[O:43])[n:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:35]3=[O:36])[s:53]2)[cH:26][cH:27]1

Participants

Reactant 8

HCID 313Hydrochloric Acid

HCID 962Water

HCID 1049Pyridine

HCID 4113O-Methylhydroxylamine

HCID 8471Triethylamine

HCID 15891Phenyl chloroformate

HCID 31374Dimethylacetamide

HCID 109190521-(2,6-difluorobenzyl)-6-(4-aminophenyl)-5-((benzyl(methyl)amino)methyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Product 1

HCID 3038517Sufugolix

Sources & evidence

ORD record: ord-ad456475fffd45388b0ea511c8c75722
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…