Hydrochloric Acid → Benzyl 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-5-oxo-1,4-diazepane-1-carboxylate

HRID 2350525Notes

Reaction equation

HRID 2350525 reaction equation
[C:35]([O:36][IH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:97](#[N:98])[CH3:99].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH2:19][CH2:20][CH2:21][CH2:22][OH:23])[C:15](=[O:18])[CH2:16][CH2:17]1.[CH2:81]1[CH2:82][C:83]12[CH:84]([OH:89])[CH2:85][NH:86][CH2:87][CH2:88]2.[CH3:24][C:25]1([CH3:34])[N:26]([O:27])[C:28]([CH3:29])([CH3:30])[CH2:31][CH2:32][CH2:33]1.[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[ClH:90].[Na+:95].[O-:91][C:92]([OH:93])=[O:94].[OH2:96].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH2:19][CH2:20][CH2:21][C:22](=[O:23])[N:86]2[CH2:85][CH:84]([OH:89])[C:83]3([CH2:81][CH2:82]3)[CH2:88][CH2:87]2)[C:15](=[O:18])[CH2:16][CH2:17]1

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 667827006-Azaspiro[2.5]octan-4-olHCID 670748254-(4-Hydroxy-butyl)-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl esterHCID 178476683HCID 178476683, compound

Product 1

HCID 67074322Benzyl 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-5-oxo-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-2ae1c6cbc1cd42ada33781d871e8eeb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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