Hydrochloric Acid → HCID 59403477, compound

HRID 187687Notes

Reaction equation

HRID 187687 reaction equation
[Br:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[C:30](=[O:31])([O-:32])[O-:33].[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:29]3)[CH2:24][CH2:25][CH2:26][NH:27][CH2:28]4)[n:17][o:18]2)[cH:12][cH:13]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[ClH:1].[Cs+:34].[Cs+:35].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:29]3)[CH2:24][CH2:25][CH2:26][N:27]([CH2:37][CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:28]4)[n:17][o:18]2)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 76300Ethyl 4-bromobutyrateHCID 104967Cesium cation2×HCID 44128662HCID 44128662, compound

Product 1

HCID 59403477HCID 59403477, compound

Sources & evidence

ORD record
ord-b31617166d8a476ebfd93010b9151bf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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