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1,2-Dichloroethane → 3-Methyl-1-[3-methyl-2-(5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)butanoyl]azetidine-3-carbonitrile

HRID 685600
Notes
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Reaction equation

HRID 685600 reaction equation
[C:21](#[N:22])[C:23]1([CH3:27])[CH2:24][NH:25][CH2:26]1.[CH2:38]([Cl:39])[CH2:40][Cl:41].[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]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[CH3:1][CH:2]([CH:3]([C:4](=[O:6])[N:25]1[CH2:24][C:23]([C:21]#[N:22])([CH3:27])[CH2:26]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

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 552994843-Methylazetidine-3-carbonitrileHCID 772436093-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 753020543-Methyl-1-[3-methyl-2-(5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)butanoyl]azetidine-3-carbonitrile

Sources & evidence

ORD record
ord-b273e0084a4141bf9dca93c395943b89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes