Water → HCID 72297463, compound

HRID 1122411Notes

Reaction equation

HRID 1122411 reaction equation
[Br:39][CH2:40][C:41]#[N:42].[C:43](=[O:44])([O-:45])[O-:46].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:47].[Cs+:48].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[c:9]3[c:10]([cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[c:17]([CH3:19])[cH:18]3)[NH:11][CH2:12][CH2:13][CH2:14]2)[c:24]2[n:25][n:26][n:27]([CH3:29])[n:28]2)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[OH2:54]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[c:9]3[c:10]([cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[c:17]([CH3:19])[cH:18]3)[N:11]([CH2:40][C:41]#[N:42])[CH2:12][CH2:13][CH2:14]2)[c:24]2[n:25][n:26][n:27]([CH3:29])[n:28]2)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 72297463HCID 72297463, compound

Sources & evidence

ORD record
ord-9369f338c73e4bf883ce501c10810ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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