Water → tert-butyl 13-cyclohexyl-3-methoxy-6-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate

HRID 1130417Notes

Reaction equation

HRID 1130417 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[c:37]3[n:38]([c:53]2[cH:54]1)[CH2:39][C:40]([C:50](=[O:51])[OH:52])=[CH:41][c:42]1[c:43]-3[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]1.[CH3:61][N:62]1[CH2:63][CH:64]2[CH2:65][CH2:66][CH:67]([CH2:68]1)[NH:69]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[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>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[c:37]3[n:38]([c:53]2[cH:54]1)[CH2:39][C:40]([C:50](=[O:52])[N:69]1[CH:64]2[CH2:63][N:62]([CH3:61])[CH2:68][CH:67]1[CH2:66][CH2:65]2)=[CH:41][c:42]1[c:43]-3[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 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 5771220210-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

Product 1

HCID 57639127tert-butyl 13-cyclohexyl-3-methoxy-6-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate

Sources & evidence

ORD record
ord-5fc1aba05c974dd5a33a47d7dd56e60f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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