Bicarbonate Ion → 6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-amine

HRID 1140846Notes

Reaction equation

HRID 1140846 reaction equation
[Cl:46][CH2:47][Cl:48].[F:8][c:9]1[c:10]([CH:16]2[CH2:17][CH2:18][CH:19]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:20]3[n:21]([c:23]([C:26]4([C:29]([F:30])([F:31])[F:32])[CH2:27][CH2:28]4)[cH:24][n:25]3)[CH2:22]2)[cH:11][cH:12][cH:13][c:14]1[F:15].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[F:8][c:9]1[c:10]([CH:16]2[CH2:17][CH2:18][CH:19]([NH2:33])[c:20]3[n:21]([c:23]([C:26]4([C:29]([F:30])([F:31])[F:32])[CH2:27][CH2:28]4)[cH:24][n:25]3)[CH2:22]2)[cH:11][cH:12][cH:13][c:14]1[F:15]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178452662HCID 178452662, compound

Product 1

HCID 675334656-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-amine

Sources & evidence

ORD record
ord-293909c10c714a8eb8fd147166e9f65e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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