Hydrochloric Acid → HCID 59208135, compound

HRID 2324934Notes

Reaction equation

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

Participants

Reactant 4

HCID 313Hydrochloric Acid2×

HCID 81531Diisopropylethylamine

HCID 13820412-aminomethyl-1H-imidazole

HCID 119500953-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide

Product 1

HCID 59208135HCID 59208135, compound

Sources & evidence

ORD record: ord-4852ba20f5684cbf9999507f74217ce8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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