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1,2-Dichloroethane → HCID 75301600, compound

HRID 2157601
Notes
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Reaction equation

HRID 2157601 reaction equation
[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH3:1][CH:2]([CH:3]([C:4](=[O:5])[OH:6])[N:7]1[CH2:8][c:9]2[cH:10][cH:11][n:12][c:13]3[c:14]2[c:15]([cH:18][nH:19]3)[C:16]1=[O:17])[CH3:20].[CH3:42][N:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[ClH:41].[NH:35]1[CH2:36][CH:37]([C:39]#[N:40])[CH2:38]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[CH3:1][CH:2]([CH:3]([C:4](=[O:6])[N:35]1[CH2:36][CH:37]([C:39]#[N:40])[CH2:38]1)[N:7]1[CH2:8][c:9]2[cH:10][cH:11][n:12][c:13]3[c:14]2[c:15]([cH:18][nH:19]3)[C:16]1=[O:17])[CH3:20]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 221323843-Azetidinecarbonitrile
HCID 77243609
3-Methyl-2-(5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)butanoic acid

Product 1

HCID 75301600HCID 75301600, compound

Sources & evidence

ORD record
ord-588b87ad7ad24e5aaeae7ba68743a264
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes