Trifluoroacetic acid → Trifluoroacetic acid

HRID 192841Notes

Reaction equation

HRID 192841 reaction equation
[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH:24]4[CH2:25][N:26]([CH3:31])[CH2:27][CH:28]2[CH2:29][CH2:30]4)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:45][C:46]([C:47](=[O:48])[OH:49])([F:50])[F:51]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:38](=[O:39])[OH:40])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH:24]4[CH2:25][N:26]([CH3:31])[CH2:27][CH:28]2[CH2:29][CH2:30]4)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:45][C:46]([C:47](=[O:48])[OH:49])([F:50])[F:51]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 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

Product 2

HCID 6422Trifluoroacetic acidHCID 2498862113-cyclohexyl-3-methoxy-6-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Sources & evidence

ORD record
ord-86c22b6f93844b1194f16c65aa7a3ec8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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