Acetonitrile → HCID 66938707, compound

HRID 155753Notes

Reaction equation

HRID 155753 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([N:10]([C:11]([CH2:12][N:13]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH2:19][N:20]([S:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[N+:28]([O-:29])=[O:30])(=[O:31])=[O:32])[CH:33]([CH3:34])[CH3:35])[c:36]2[c:37]([CH3:48])[cH:38][cH:39][c:40](-[c:42]3[n:43][o:44][c:45]([CH3:47])[n:46]3)[cH:41]2)=[O:49])[CH3:50])[CH2:8][CH2:9]1.[C:58](=[O:59])([O-:60])[O-:61].[CH3:64][C:65]#[N:66].[Cl:67][CH2:68][Cl:69].[Cs+:62].[Cs+:63].[SH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([N:10]([C:11]([CH2:12][N:13]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH2:19][NH:20][CH:33]([CH3:34])[CH3:35])[c:36]2[c:37]([CH3:48])[cH:38][cH:39][c:40](-[c:42]3[n:43][o:44][c:45]([CH3:47])[n:46]3)[cH:41]2)=[O:49])[CH3:50])[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7969ThiophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68159452HCID 68159452, compound

Product 1

HCID 66938707HCID 66938707, compound

Sources & evidence

ORD record
ord-48eb2d753d3a48aa9beeebd2a6a717a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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