Tetrahydrofuran → HCID 59208137, compound

HRID 2345168Notes

Reaction equation

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

Participants

Reactant 4

HCID 8028Tetrahydrofuran

HCID 81531Diisopropylethylamine

HCID 7957154-Methyl-1,4'-bipiperidine

HCID 119508203-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)benzamide

Product 1

HCID 59208137HCID 59208137, compound

Sources & evidence

ORD record: ord-92cd701150bb4f9baceeb29c0bba7b99
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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