Hydrochloric Acid → HCID 136347194, compound

HRID 1548642Notes

Reaction equation

HRID 1548642 reaction equation
[Br:38][CH2:39][C:40](=[O:41])[NH2:42].[C:32](=[O:33])([O-:34])[O-:35].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:1]1([NH:7][n:8]2[c:9]3[c:10]([c:11]([OH:28])[c:12]([C:15]4=[N:16][S:17](=[O:26])(=[O:27])[c:18]5[c:19]([cH:21][cH:22][c:23]([OH:25])[cH:24]5)[NH:20]4)[c:13]2=[O:14])[s:29][cH:30][cH:31]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:43].[Cs+:36].[Cs+:37].[I-:44].[OH2:67]>>[CH:1]1([NH:7][n:8]2[c:9]3[c:10]([c:11]([OH:28])[c:12]([C:15]4=[N:16][S:17](=[O:26])(=[O:27])[c:18]5[c:19]([cH:21][cH:22][c:23]([O:25][CH2:39][C:40](=[O:41])[NH2:42])[cH:24]5)[NH:20]4)[c:13]2=[O:14])[s:29][cH:30][cH:31]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 696322-BromoacetamideHCID 104967Cesium cation2×HCID 136374263HCID 136374263, compound

Product 1

HCID 136347194HCID 136347194, compound

Sources & evidence

ORD record
ord-14eda8531b034d4aa11a1af0ea863daf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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