Hydrochloric Acid → HCID 22293238, compound

HRID 2146676Notes

Reaction equation

HRID 2146676 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:30][C:31](=[O:32])[O:33][c:34]1[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]1.[ClH:43].[NH2:8][CH:9]1[C:10](=[O:29])[N:11]([CH2:24][C:25]([F:26])([F:27])[F:28])[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1.[NH:44]1[CH2:45][CH2:46][CH:47]([n:50]2[c:51](=[O:59])[nH:52][c:53]3[n:54][cH:55][n:56][cH:57][c:58]23)[CH2:48][CH2:49]1.[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[NH:8]([CH:9]1[C:10](=[O:29])[N:11]([CH2:24][C:25]([F:26])([F:27])[F:28])[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1)[C:31](=[O:32])[N:44]1[CH2:45][CH2:46][CH:47]([n:50]2[c:51](=[O:59])[nH:52][c:53]3[n:54][cH:55][n:56][cH:57][c:58]23)[CH2:48][CH2:49]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 821294-Nitrophenyl chloroformateHCID 222931673-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-oneHCID 22293198HCID 22293198, compound

Product 1

HCID 22293238HCID 22293238, compound

Sources & evidence

ORD record
ord-62ad5ad86c9148188a6e241c2a9e1eeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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