Hydrochloric Acid → HCID 66616501, compound

HRID 291855Notes

Reaction equation

HRID 291855 reaction equation
[CH3:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:64][CH2:65][Cl:66].[ClH:33].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14]([C:16](=[O:17])[O:18][CH3:19])[cH:15]2)[cH:20][cH:21]1.[F:45][c:46]1[cH:47][cH:48][c:49]([CH2:52][NH2:53])[cH:50][cH:51]1.[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:44].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:10](=[O:12])[NH:53][CH2:52][c:49]3[cH:48][cH:47][c:46]([F:45])[cH:51][cH:50]3)[cH:13][c:14]([C:16](=[O:17])[O:18][CH3:19])[cH:15]2)[cH:20][cH:21]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 673264-FluorobenzylamineHCID 757711-HydroxybenzotriazoleHCID 66616348HCID 66616348, compound

Product 1

HCID 66616501HCID 66616501, compound

Sources & evidence

ORD record
ord-ed398ddeefc442a9aff53f92b04886ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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