Acetonitrile → HCID 69099794, compound

HRID 301155Notes

Reaction equation

HRID 301155 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH2:32]([CH3:33])[O:34][C:35]([C:36]([CH3:37])([CH3:38])[Br:39])=[O:40].[CH3:54][C:55]#[N:56].[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]4)[cH:24][cH:25]3)[n:8]2)[CH2:2][CH2:3]1.[Cs+:30].[Cs+:31].[F:41][C:42]([F:43])([F:44])[O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][Br:51])[cH:52][cH:53]1>>[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([O:23][C:36]([C:35]([O:34][CH2:32][CH3:33])=[O:40])([CH3:37])[CH3:38])[cH:21][cH:22]4)[cH:24][cH:25]3)[n:8]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 11745Propanoic acid, 2-bromo-2-methyl-, ethyl esterHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1427851-(Bromomethyl)-4-(trifluoromethoxy)benzeneHCID 69099606HCID 69099606, compound

Product 1

HCID 69099794HCID 69099794, compound

Sources & evidence

ORD record
ord-76d6bfe0c34849eba7521b3ddd8c8160
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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