Hydrochloric Acid → HCID 178447550, compound

HRID 206201Notes

Reaction equation

HRID 206201 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[CH:15][C:16](=[O:17])[N:18]2[CH2:19][CH:20]([C:24](=[O:25])[OH:26])[CH2:21][CH2:22][CH2:23]2)[CH2:12][CH2:13]1.[CH2:28]([CH3:29])[O:30][C:31]([CH2:32][CH:33]([NH2:34])[C:35]#[CH:36])=[O:37].[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:27].[OH2:64].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[CH:15][C:16](=[O:17])[N:18]2[CH2:19][CH:20]([C:24](=[O:25])[NH:34][CH:33]([CH2:32][C:31]([O:30][CH2:28][CH3:29])=[O:37])[C:35]#[CH:36])[CH2:21][CH2:22][CH2:23]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22006121Ethyl 3-amino-4-pentynoateHCID 698179961-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]prop-2-enoyl]piperidine-3-carboxylic acid

Product 1

HCID 178447550HCID 178447550, compound

Sources & evidence

ORD record
ord-808f5a721871478da109c7563840f540
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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