Acetonitrile → HCID 53492832, compound

HRID 1123752Notes

Reaction equation

HRID 1123752 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][O:36][CH2:37][CH2:38][Br:39].[CH3:40][C:41]#[N:42].[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]>>[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]([CH2:38][CH2:37][O:36][CH3:35])[CH2:13]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 809722-Bromoethyl methyl etherHCID 104967Cesium cation2×HCID 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 53492832HCID 53492832, compound

Sources & evidence

ORD record
ord-2eab21806acf4fbf86b5f9752eac9e6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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