Water → HCID 70852537, compound

HRID 301794Notes

Reaction equation

HRID 301794 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:34]12[CH:35]([CH2:36][CH2:37][CH2:38][CH2:39]1)[O:40]2.[Cs+:45].[Cs+:46].[OH2:58].[OH:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:33])[n:10][c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:13]2=[O:14])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:33])[n:10][c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:13]2=[O:14])[cH:6][cH:7]1)[CH:34]1[CH:35]([OH:40])[CH2:36][CH2:37][CH2:38][CH2:39]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9246Cyclohexene oxideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 57460377HCID 57460377, compound

Product 1

HCID 70852537HCID 70852537, compound

Sources & evidence

ORD record
ord-5288431c4cbd4d6ea67fc24bf1387fec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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