Hydrochloric Acid → HCID 44234766, compound

HRID 1139305Notes

Reaction equation

HRID 1139305 reaction equation
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:10]1([n:15]2[n:16][n:17][c:18]([C:20](=[O:21])[OH:22])[cH:19]2)[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH:23]1([NH2:24])[CH2:25][CH2:26][CH2:27][CH2:28]1.[ClH:50].[NH2:51][CH2:52][C:53](=[O:54])[N:55]1[CH2:56][CH2:57][CH:58]([O:61][c:62]2[cH:63][n:64][cH:65][c:66]([Cl:68])[cH:67]2)[CH2:59][CH2:60]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[CH:10]1([n:15]2[n:16][n:17][c:18]([C:20](=[O:22])[NH:51][CH2:52][C:53](=[O:54])[N:55]3[CH2:56][CH2:57][CH:58]([O:61][c:62]4[cH:63][n:64][cH:65][c:66]([Cl:68])[cH:67]4)[CH2:59][CH2:60]3)[cH:19]2)[CH2:11][CH2:12][CH2:13][CH2:14]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 2906CyclopentylamineHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 62061226HCID 62061226, compoundHCID 665916732-Amino-1-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]ethanone

Product 1

HCID 44234766HCID 44234766, compound

Sources & evidence

ORD record
ord-883f8003d6f04ba391ad82500d22bfe6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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