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Hydrochloric Acid → HCID 178504728, compound

HRID 308485
Notes
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Reaction equation

HRID 308485 reaction equation
[CH2:48]([Cl:49])[Cl:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([N+:21](=[O:22])[O-:23])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:24][C:25]([C:26]([Cl:27])=[O:28])=[O:29].[ClH:47].[NH2:30][c:31]1[cH:32][cH:33][nH:34][c:35](=[O:36])[n:37]1.[OH2:56]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:30][c:31]2[cH:32][cH:33][nH:34][c:35](=[O:36])[n:37]2)[c:11]2[cH:12][c:13]([N+:21](=[O:22])[O-:23])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 81531Diisopropylethylamine
HCID 12010541
3-Cyclopentyl-2-(4-methanesulfonyl-3-nitrophenyl)-propionic acid
HCID 178418229Cytosine

Product 1

HCID 178504728HCID 178504728, compound

Sources & evidence

ORD record
ord-6e7099b3a5c44d70979781ccbb2e1d45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes