Acetonitrile → HCID 178511041, compound

HRID 1210192Notes

Reaction equation

HRID 1210192 reaction equation
[Br:34][CH2:35][CH2:36][CH2:37][C:38]#[N:39].[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][C:47]#[N:48].[Cs+:44].[Cs+:45].[NH2:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][C:8]3([C:9]([NH:21][CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)=[N:10][C:11](=[O:20])[N:12]3[c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[CH2:28][CH2:29]2)[cH:30][cH:31][cH:32][cH:33]1>>[NH:1]([c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][C:8]3([C:9]([NH:21][CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)=[N:10][C:11](=[O:20])[N:12]3[c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[CH2:28][CH2:29]2)[cH:30][cH:31][cH:32][cH:33]1)[CH2:35][CH2:36][CH2:37][C:38]#[N:39]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 214124-BromobutyronitrileHCID 104967Cesium cation2×HCID 178507494HCID 178507494, compound

Product 1

HCID 178511041HCID 178511041, compound

Sources & evidence

ORD record
ord-072b8ef685e44ecb9ccebf8fdfe2088b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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