Hydrochloric Acid → HCID 42641017, compound

HRID 2135592Notes

Reaction equation

HRID 2135592 reaction equation
[C:59](=[O:60])([O-:61])[OH:62].[CH2:19]([N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[CH3:26].[CH2:1]([CH3:2])[N:3]1[CH:4]([C:5](=[O:6])[OH:7])[CH2:8][CH:9]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:10]1=[O:11].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[Cl:49][c:50]1[c:51]([CH2:57][NH2:58])[cH:52][cH:53][c:54]([F:56])[cH:55]1.[Cl:64][CH2:65][Cl:66].[ClH:37].[Na+:63].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH2:1]([CH3:2])[N:3]1[CH:4]([C:5](=[O:7])[NH:58][CH2:57][c:51]2[c:50]([Cl:49])[cH:55][c:54]([F:56])[cH:53][cH:52]2)[CH2:8][CH:9]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:10]1=[O:11]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7525EthylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1399092-Chloro-4-fluorobenzylamineHCID 67459914HCID 67459914, compound

Product 1

HCID 42641017HCID 42641017, compound

Sources & evidence

ORD record
ord-db4ed37ed6c64a18ac2be4c525426087
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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