Methanol → 13-cyclohexyl-N-(cyclopropylsulfonyl)-3-methoxy-6-((4-(3-(4-morpholinyl)propyl)-1,4-diazepan-1-yl)carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

HRID 1553330Notes

Reaction equation

HRID 1553330 reaction equation
[CH3:84][OH:85].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:30]([NH:31][S:32](=[O:33])(=[O:34])[CH:35]4[CH2:36][CH2:37]4)=[O:38])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:18]=[C:19]([C:21](=[O:22])[OH:23])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:39]1([CH2:46][CH2:47][CH2:48][N:49]2[CH2:50][CH2:51][O:52][CH2:53][CH2:54]2)[CH2:40][CH2:41][NH:42][CH2:43][CH2:44][CH2:45]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:30]([NH:31][S:32](=[O:33])(=[O:34])[CH:35]4[CH2:36][CH2:37]4)=[O:38])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:18]=[C:19]([C:21](=[O:23])[N:42]2[CH2:41][CH2:40][N:39]([CH2:46][CH2:47][CH2:48][N:49]4[CH2:50][CH2:51][O:52][CH2:53][CH2:54]4)[CH2:45][CH2:44][CH2:43]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 27375254-(3-(1,4-Diazepan-1-yl)propyl)morpholineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 5755909613-cyclohexyl-10-((cyclopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

Product 1

HCID 5768245813-cyclohexyl-N-(cyclopropylsulfonyl)-3-methoxy-6-((4-(3-(4-morpholinyl)propyl)-1,4-diazepan-1-yl)carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Sources & evidence

ORD record
ord-a6bb3340ec8f40708211370956647837
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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