Hydrochloric Acid → HCID 59627658, compound

HRID 2136525Notes

Reaction equation

HRID 2136525 reaction equation
[C:21]([NH2:22])(=[O:23])[c:24]1[c:25]([CH3:48])[n:26][c:27]([CH3:47])[c:28](-[c:30]2[cH:31][cH:32][c:33](-[c:36]3[c:37]([Cl:46])[cH:38][c:39]([CH2:42][C:43](=[O:44])[OH:45])[cH:40][cH:41]3)[cH:34][cH:35]2)[n:29]1.[CH2:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[ClH:49].[NH:1]1[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:5][CH2:6]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[n:61]1([OH:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[N:1]1([C:43]([CH2:42][c:39]2[cH:38][c:37]([Cl:46])[c:36](-[c:33]3[cH:32][cH:31][c:30](-[c:28]4[c:27]([CH3:47])[n:26][c:25]([CH3:48])[c:24]([C:21]([NH2:22])=[O:23])[n:29]4)[cH:35][cH:34]3)[cH:41][cH:40]2)=[O:44])[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 70770Ethyl 4-piperidinecarboxylateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 498471732-(4'-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)acetic acid

Product 1

HCID 59627658HCID 59627658, compound

Sources & evidence

ORD record
ord-81eb7d66302a4393b28fe469b18e6c0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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