Acetonitrile → HCID 68499165, compound

HRID 104246Notes

Reaction equation

HRID 104246 reaction equation
[C:65](=[O:66])([O-:67])[O-:68].[CH3:71][C:72]#[N:73].[Cs+:69].[Cs+:70].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([O:24][CH2:25][c:26]3[cH:27][cH:28][c:29]4[c:34]([cH:35]3)[N:33]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[C:32](=[O:41])[CH2:31][CH2:30]4)[CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([O:48][CH2:52][CH2:53][CH2:54][O:55][CH:56]([CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)(=[O:49])=[O:50])[cH:51][cH:64]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([O:24][CH2:25][c:26]3[cH:27][cH:28][c:29]4[c:34]([cH:35]3)[N:33]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[C:32](=[O:41])[CH2:31][CH2:30]4)[CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[CH2:52][CH2:53][CH2:54][O:55][CH:56]([CH3:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68502032HCID 68502032, compoundHCID 86609991HCID 86609991, compound

Product 1

HCID 68499165HCID 68499165, compound

Sources & evidence

ORD record
ord-954d84efc3a644148a0e7f89416e29fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…