Hydrochloric Acid → {1-[4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-benzoyl]-piperidin-4-yl}-carbamic acid 9H-fluoren-9-ylmethyl ester

HRID 180207Notes

Reaction equation

HRID 180207 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][N:38]([C:39](=[N+:40]([CH3:41])[CH3:42])[O:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1)[CH3:53].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH3:92][N:93]([CH3:94])[CH:95]=[O:96].[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[ClH:61].[F:54][P-:55]([F:56])([F:57])([F:58])([F:59])[F:60].[cH:62]1[cH:63][cH:64][cH:65][c:66]2[c:74]1[CH:73]([CH2:75][O:76][C:77]([NH:78][CH:79]1[CH2:80][CH2:81][NH:82][CH2:83][CH2:84]1)=[O:85])[c:72]1[c:67]-2[cH:68][cH:69][cH:70][cH:71]1>>[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[N:82]5[CH2:81][CH2:80][CH:79]([NH:78][C:77]([O:76][CH2:75][CH:73]6[c:72]7[c:67]([cH:68][cH:69][cH:70][cH:71]7)-[c:66]7[cH:65][cH:64][cH:63][cH:62][c:74]76)=[O:85])[CH2:84][CH2:83]5)[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 27562199H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 445472064-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-benzoic acid

Product 1

HCID 67354975{1-[4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-benzoyl]-piperidin-4-yl}-carbamic acid 9H-fluoren-9-ylmethyl ester

Sources & evidence

ORD record
ord-8b8095cafb6d474bb21f12b945a66843
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…