Acetate → 10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

HRID 290440Notes

Reaction equation

HRID 290440 reaction equation
[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:64][C:65](=[O:66])[O-:67].[CH3:73][OH:74].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH:18]=[C:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:56].[NH4+:63].[Na+:62].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH-:38].[P:57]([O-:58])([OH:59])([OH:60])=[O:61]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]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

Participants

12

Reactant 11

HCID 175AcetateHCID 223AmmoniumHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1003DihydrogenphosphateHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 5983755810-tert-butyl 6-methyl 13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate

Product 1

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

Sources & evidence

ORD record
ord-efc34cd98522447490d33ee0f064f5e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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