3-Fluoro-4-(4-methylpiperazin-1-yl)aniline → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamide

HRID 681856

Reaction equation

HRID 681856 reaction equation
[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:33])[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[F:34][c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][c:41]1[N:42]1[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:33])[c:25]([C:26](=[O:28])[NH:38][c:37]5[cH:36][c:35]([F:34])[c:41]([N:42]6[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]6)[cH:40][cH:39]5)[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

3

Reactant 2

HCID 27830553-Fluoro-4-(4-methylpiperazin-1-yl)anilineHCID 252536794-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid

Product 1

HCID 579556094-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamide

Sources & evidence

ORD record
ord-b392dbfe298a40709b471b1a7c7381b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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