Hydrochloric Acid → [5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

HRID 284334Notes

Reaction equation

HRID 284334 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][C:16]2([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH:17]([CH:19]=[CH2:20])[CH2:18]2)=[O:26])[CH2:10][CH:11]([OH:13])[CH2:12]1.[C:27](=[O:28])([c:29]1[nH:30][cH:31][cH:32][n:33]1)[c:34]1[nH:35][cH:36][cH:37][n:38]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:39].[ClH:50].[F:40][c:41]1[c:42]2[c:46]([cH:47][cH:48][cH:49]1)[CH2:45][NH:44][CH2:43]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][C:16]2([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH:17]([CH:19]=[CH2:20])[CH2:18]2)=[O:26])[CH2:10][CH:11]([O:13][C:27](=[O:28])[N:44]2[CH2:43][c:42]3[c:41]([F:40])[cH:49][cH:48][cH:47][c:46]3[CH2:45]2)[CH2:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 1140TolueneHCID 8471TriethylamineHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 147958674-fluoro-2,3-dihydro-1H-isoindoleHCID 235716032-(1-Ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 76593712[5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Sources & evidence

ORD record
ord-a2cdd97ed57d41ce9d269268d53b17c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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