Hydrochloric Acid → 2-chloro-4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-5-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
Reaction equation
[CH3:34][N:35]1[CH2:36][CH:37]([NH2:40])[CH2:38][CH2:39]1.[CH3:79][OH:80].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:30][CH3:31])[c:9]([NH:11][c:12]2[n:13][cH:14][c:15]3[c:21]([n:22]2)[N:20]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:19][CH2:18][C:17](=[O:28])[N:16]3[CH3:29])[cH:10]1.[ClH:32].[ClH:33].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:40][CH:37]2[CH2:36][N:35]([CH3:34])[CH2:39][CH2:38]2)[cH:7][c:8]([O:30][CH3:31])[c:9]([NH:11][c:12]2[n:13][cH:14][c:15]3[c:21]([n:22]2)[N:20]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:19][CH2:18][C:17](=[O:28])[N:16]3[CH3:29])[cH:10]1Participants
9
Reactant 8
HCID 313Hydrochloric Acid2×
HCID 887Methanol
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 189403961-Methylpyrrolidin-3-amine
HCID 686856472-Chloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-5-methoxy-benzoic acidProduct 1
Sources & evidence
- ORD record
- ord-399fa58b65854cf6972823903500a454
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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