Acetonitrile → HCID 67314891, compound

HRID 109837Notes

Reaction equation

HRID 109837 reaction equation
[CH3:39][N:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH:50]([CH2:53][N:54]2[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[CH2:51][CH2:52]1.[CH3:60][C:61]#[N:62].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][c:12](-[n:16]3[n:17][c:18]([CH2:26][CH3:27])[c:19]([C:23](=[O:24])[OH:25])[c:20]3[CH2:21][CH3:22])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[Cl:28][c:29]1[n:30][c:31]([O:32][CH3:33])[n:34][c:35]([O:36][CH3:37])[n:38]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][c:12](-[n:16]3[n:17][c:18]([CH2:26][CH3:27])[c:19]([C:23](=[O:24])[N:57]4[CH2:56][CH2:55][N:54]([CH2:53][CH:50]5[CH2:49][CH2:48][N:47]([CH3:46])[CH2:52][CH2:51]5)[CH2:59][CH2:58]4)[c:20]3[CH2:21][CH3:22])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazineHCID 27369421-((1-Methyl-4-piperidinyl)methyl)piperazineHCID 673139781-[3-[2-(4-Chlorophenyl)ethenyl]phenyl]-3,5-diethylpyrazole-4-carboxylic acid

Product 1

HCID 67314891HCID 67314891, compound

Sources & evidence

ORD record
ord-1e25ac8aac364764bcf9d2a617d33d42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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