6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-one → HCID 25253370, compound

HRID 1555835Notes

Reaction equation

HRID 1555835 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][cH:24][c:25]([C:26]([OH:27])=[O: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.[Cl:33][c:34]1[n:35][cH:36][c:37]2[c:52]([n:53]1)[N:46]([CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1)[CH2:45][C:42]([F:43])([F:44])[C:40](=[O:41])[N:38]2[CH3:39].[NH2:54][c:55]1[cH:56][c:57]2[c:58]([cH:64][cH:65]1)[O:59][CH2:60][C:61](=[O:63])[NH:62]2>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:55]4[cH:56][c:57]5[c:58]([cH:64][cH:65]4)[O:59][CH2:60][C:61](=[O:63])[NH:62]5)[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

4

Reactant 3

HCID 27636816-amino-3,4-dihydro-2H-1,4-benzoxazin-3-oneHCID 252529054-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 579555742-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

Product 1

HCID 25253370HCID 25253370, compound

Sources & evidence

ORD record
ord-1712e18bf80f4568a164869aaea88262
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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