Acetonitrile → HCID 59711782, compound

HRID 149804Notes

Reaction equation

HRID 149804 reaction equation
[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([S:23][CH3:24])[cH:21][cH:22]2)[CH2:9][CH2:10][CH2:11][CH2:12]1.[C:25](=[O:26])([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:32]([NH2:33])([SH:34])[CH3:35].[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][C:49]#[N:50].[Cs+:40].[Cs+:41]>>[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([S:23][CH2:24][CH2:49][NH:50][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:21][cH:22]2)[CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 21690497HCID 21690497, compoundHCID 59711781HCID 59711781, compound

Product 1

HCID 59711782HCID 59711782, compound

Sources & evidence

ORD record
ord-610953d7738c4da483fb7dbccc6beadf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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