Hydrochloric Acid → 3-(2-bromo-6-fluoro-phenyl)-7-(4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-6-ylamino)-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 686043Notes

Reaction equation

HRID 686043 reaction equation
[Br:1][c:2]1[c:3]([N:9]2[C:10](=[O:24])[N:11]([CH3:23])[c:12]3[n:13][c:14]([S:19]([CH3:20])(=[O:21])=[O:22])[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[ClH:38].[NH2:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([cH:37]1)[S:31](=[O:35])(=[O:36])[CH2:32][CH2:33][O:34]2>>[Br:1][c:2]1[c:3]([N:9]2[C:10](=[O:24])[N:11]([CH3:23])[c:12]3[n:13][c:14]([NH:25][c:26]4[cH:27][cH:28][c:29]5[c:30]([cH:37]4)[S:31](=[O:35])(=[O:36])[CH2:32][CH2:33][O:34]5)[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 13387N-methyl-2-pyrrolidoneHCID 219881503-(2-Bromo-6-fluorophenyl)-3,4-dihydro-7-methanesulphonyl-1-methylpyrimido[4,5-d]pyrimidin-2(1h)-oneHCID 219881516-Amino-2,3-dihydro-1,4

Product 1

HCID 104147453-(2-bromo-6-fluoro-phenyl)-7-(4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-6-ylamino)-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-4438b76568a8427ba9dbbc4d338530d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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