Hydrochloric Acid → HCID 67548941, compound

HRID 1220211Notes

Reaction equation

HRID 1220211 reaction equation
[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:62][N:63]([CH3:64])[C:65](=[O:66])[CH3:67].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:19][c:20]1[n:21][c:22]([C:27](=[O:28])[OH:29])[nH:23][c:24]1[CH2:25][CH3:26].[Cl:59][CH2:60][Cl:61].[ClH:40].[F:69][C:70]([F:71])([F:72])[C:73]([OH:74])=[O:75].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7]1.[OH2:68].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7]1)[C:27]([c:22]1[n:21][c:20]([Cl:19])[c:24]([CH2:25][CH3:26])[nH:23]1)=[O:28]

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 31374DimethylacetamideHCID 757711-HydroxybenzotriazoleHCID 67548768HCID 67548768, compoundHCID 675489294-chloro-5-ethyl-1H-imidazole-2-carboxylic acid

Product 1

HCID 67548941HCID 67548941, compound

Sources & evidence

ORD record
ord-b115ebe9932e489c84c44ad1944d3a24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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