Hydrochloric Acid → HCID 42642483, compound

HRID 696454Notes

Reaction equation

HRID 696454 reaction equation
[C:55](=[O:56])([O-:57])[OH:58].[CH2:37]([N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1)[CH3:44].[CH3:16][N:17]([CH3:18])[CH2:19][CH2:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH3:26].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:1]1([N:6]2[CH:7]([C:8](=[O:9])[OH:10])[CH2:11][CH2:12][C:13]2=[O:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:45][c:46]1[c:47]([CH2:53][NH2:54])[cH:48][cH:49][c:50]([F:52])[cH:51]1.[Cl:60][CH2:61][Cl:62].[ClH:15].[Na+:59].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH:1]1([N:6]2[CH:7]([C:8](=[O:10])[NH:54][CH2:53][c:47]3[c:46]([Cl:45])[cH:51][c:50]([F:52])[cH:49][cH:48]3)[CH2:11][CH2:12][C:13]2=[O:14])[CH2:2][CH2:3][CH2:4][CH2:5]1

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 3237791HCID 3237791, compound

Product 1

HCID 42642483HCID 42642483, compound

Sources & evidence

ORD record
ord-8bc5ea386c9c466081bc82321b54725c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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