Acetonitrile → HCID 53492831, compound

HRID 178924Notes

Reaction equation

HRID 178924 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:47][C:48]#[N:49].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][cH:28]1)-[n:6]1[c:7]([CH:14]3[CH2:15][CH2:16][CH:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[F:26])[CH2:18][CH2:19]3)[n:8][n:9][c:10]1[CH2:11][NH:12][CH2:13]2.[Cs+:33].[Cs+:34].[F:35][C:36]([F:37])([F:38])[S:39]([O:40][CH2:41][CH:42]([F:43])[F:44])(=[O:45])=[O:46]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][cH:28]1)-[n:6]1[c:7]([CH:14]3[CH2:15][CH2:16][CH:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[F:26])[CH2:18][CH2:19]3)[n:8][n:9][c:10]1[CH2:11][N:12]([CH2:41][CH:42]([F:43])[F:44])[CH2:13]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27740892,2-Difluoroethyl trifluoromethanesulfonateHCID 53492956trans-8-chloro-1-[4-(3-fluoro-pyridin-2-yl)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Product 1

HCID 53492831HCID 53492831, compound

Sources & evidence

ORD record
ord-8eaade13f599476aa9a48c17d95f54ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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