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

HRID 1147005Notes

Reaction equation

HRID 1147005 reaction equation
[CH3:76][N:77]1[CH2:78][CH:79]2[CH2:80][CH2:81][CH:82]([CH2:83]1)[NH:84]2.[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:85]([N:86]([CH2:87][CH3:88])[CH:89]([CH3:90])[CH3:91])([CH3:92])[CH3:93].[ClH:74].[ClH:75].[O:94]=[CH:95][N:96]([CH3:97])[CH3:98].[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:84]4[CH:79]5[CH2:78][N:77]([CH3:76])[CH2:83][CH:82]4[CH2:81][CH2:80]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 Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 123789003-Methyl-3,8-diazabicyclo(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 5795379613-cyclohexyl-6-(1-cyclopropyl-3-isopropyl-4-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1H-pyrazol-5-yl)-N-(isopropylsulfonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Sources & evidence

ORD record
ord-5ba11ad29dff47f584f5763f0afaf091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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