Hydrochloric Acid → 13-cyclohexyl-6-(1-cyclopropyl-3-isopropyl-4-(3-oxa-8-azabicyclo[3.2.1]oct-8-ylcarbonyl)-1H-pyrazol-5-yl)-N-(isopropylsulfonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

HRID 2347766Notes

Reaction equation

HRID 2347766 reaction equation
[CH:25]1([c:31]2[c:32]3[cH:33][cH:34][c:35]([C:65]([NH:66][S:67](=[O:68])(=[O:69])[CH:70]([CH3:71])[CH3:72])=[O:73])[cH:36][c:37]3[n:38]3[c:39]2-[c:40]2[c:41]([cH:59][c:60]([O:63][CH3:64])[cH:61][cH:62]2)[CH:42]=[C:43]([c:45]2[c:46]([C:56](=[O:57])[OH:58])[c:47]([CH:53]([CH3:54])[CH3:55])[n:48][n:49]2[CH:50]2[CH2:51][CH2:52]2)[CH2:44]3)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[CH:75]12[CH2:76][O:77][CH2:78][CH:79]([CH2:80][CH2:81]1)[NH:82]2.[CH:83]([N:84]([CH2:85][CH3:86])[CH:87]([CH3:88])[CH3:89])([CH3:90])[CH3:91].[ClH:74].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH:25]1([c:31]2[c:32]3[cH:33][cH:34][c:35]([C:65]([NH:66][S:67](=[O:68])(=[O:69])[CH:70]([CH3:71])[CH3:72])=[O:73])[cH:36][c:37]3[n:38]3[c:39]2-[c:40]2[c:41]([cH:59][c:60]([O:63][CH3:64])[cH:61][cH:62]2)[CH:42]=[C:43]([c:45]2[c:46]([C:56](=[O:57])[N:82]4[CH:75]5[CH2:76][O:77][CH2:78][CH:79]4[CH2:80][CH2:81]5)[c:47]([CH:53]([CH3:54])[CH3:55])[n:48][n:49]2[CH:50]2[CH2:51][CH2:52]2)[CH2:44]3)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 152351793-Oxa-8-azabicyclo(3.2.1)octaneHCID 579537375-(13-cyclohexyl-10-((isopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl)-1-cyclopropyl-3-isopropyl-1H-pyrazole-4-carboxylic acid

Product 1

HCID 5795381713-cyclohexyl-6-(1-cyclopropyl-3-isopropyl-4-(3-oxa-8-azabicyclo[3.2.1]oct-8-ylcarbonyl)-1H-pyrazol-5-yl)-N-(isopropylsulfonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Sources & evidence

ORD record
ord-8f3b27246123428087c7a33ca869d497
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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