Hydrochloric Acid → HCID 58734274, compound

HRID 2349790Notes

Reaction equation

HRID 2349790 reaction equation
[C:41](=[O:42])([n:43]1[cH:44][cH:45][n:46][cH:47]1)[n:48]1[cH:49][cH:50][n:51][cH:52]1.[C:53](=[O:54])([O-:55])[O-:56].[CH2:71]([Cl:72])[Cl:73].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl:3][c:4]1[c:5]([CH:15]([c:16]2[c:17]([F:23])[cH:18][cH:19][c:20]([F:22])[cH:21]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[n:8][cH:9]1.[ClH:1].[ClH:2].[K+:57].[K+:58].[OH2:70]>>[Cl:3][c:4]1[c:5]([CH:15]([c:16]2[c:17]([F:23])[cH:18][cH:19][c:20]([F:22])[cH:21]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][c:7]([N:10]2[CH2:11][CH2:12][CH2:13][NH:14][C:41]2=[O:42])[n:8][cH:9]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 682631,1'-CarbonyldiimidazoleHCID 23114815HCID 23114815, compound

Product 1

HCID 58734274HCID 58734274, compound

Sources & evidence

ORD record
ord-35fd7fdbcd8349ef90aa3c558135b7bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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