Chloride → HCID 178446578, compound

HRID 2157395Notes

Reaction equation

HRID 2157395 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[NH:40][C:41]([C:42](=[O:43])[OH:44])([CH3:45])[CH3:46].[CH2:58]([N:59]=[C:60]=[N:61][CH2:62][CH2:63][CH2:64][N:65]([CH3:66])[CH3:67])[CH3:68].[Cl-:70].[ClH:57].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]1[C:7](=[O:28])[N:8]([CH2:22][c:23]2[cH:24][s:25][cH:26][cH:27]2)[c:9]2[c:10]([N:16]3[C:17](=[O:21])[CH2:18][CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][c:14]2[CH2:15]1)[CH2:29][CH:30]([CH3:31])[CH3:32].[Na+:69].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]1[C:7](=[O:28])[N:8]([CH2:22][c:23]2[cH:24][s:25][cH:26][cH:27]2)[c:9]2[c:10]([N:16]3[C:17](=[O:21])[CH2:18][CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][c:14]2[CH2:15]1)[CH2:29][CH:30]([CH3:31])[CH3:32])[C:42]([C:41]([NH:40][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])([CH3:45])[CH3:46])=[O:43]

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2733845N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanineHCID 749469432-amino-4-methyl-N-[2-oxo-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-3-yl]pentanamide

Product 1

HCID 178446578HCID 178446578, compound

Sources & evidence

ORD record
ord-a5d5ba5c1a3945988b9c894af73f6675
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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