Tetrahydrofuran → methyl 13-cyclohexyl-10-((isopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate

HRID 702766Notes

Reaction equation

HRID 702766 reaction equation
[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH2:53]1[CH2:54][CH2:55][C:56]2=[N:61][CH2:60][CH2:59][CH2:58][N:57]2[CH2:62][CH2:63]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:46][CH:47]([CH3:48])[S:49](=[O:50])(=[O:51])[NH2:52].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[CH:13]1([c:19]2[c:20]3[cH:21][cH:22][c:23]([C:43](=[O:44])[OH:45])[cH:24][c:25]3[n:26]3[c:27]2-[c:28]2[c:29]([cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[CH:30]=[C:31]([C:33](=[O:34])[O:35][CH3:36])[CH2:32]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1>>[CH:13]1([c:19]2[c:20]3[cH:21][cH:22][c:23]([C:43](=[O:45])[NH:52][S:49]([CH:47]([CH3:46])[CH3:48])(=[O:50])=[O:51])[cH:24][c:25]3[n:26]3[c:27]2-[c:28]2[c:29]([cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[CH:30]=[C:31]([C:33](=[O:34])[O:35][CH3:36])[CH2:32]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 682631,1'-CarbonyldiimidazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 3549191Propane-2-sulfonamideHCID 5755909813-cyclohexyl-3-methoxy-6-(methoxycarbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Product 1

HCID 57559094methyl 13-cyclohexyl-10-((isopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate

Sources & evidence

ORD record
ord-f141b1a3b7f1483e900a652e05eba572
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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