Water → HCID 58015122, compound
Reaction equation
[CH3:41][N:42]([C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[N+:54]([O-:55])=[N:56]1)[CH3:57].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[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.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[NH2:67][CH:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[OH2:80].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40]>>[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:67][CH:68]5[CH2:69][CH2:70][O:71][CH2:72][CH2:73]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]1Participants
9
Reactant 8
HCID 962Water
HCID 6228Dimethylformamide
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4192234-Aminotetrahydropyran
HCID 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
HCID 178484288HCID 178484288, compoundProduct 1
Sources & evidence
- ORD record
- ord-c5efc353c1c049fa93aa3c3ed24fdccc
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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