Acetonitrile → HCID 178458696, compound

HRID 214962Notes

Reaction equation

HRID 214962 reaction equation
[CH2:25]([CH:26]=[CH2:27])[O:28][CH:29]1[CH2:30][CH:31]([NH2:40])[c:32]2[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36][c:37]21.[CH3:41][C:42]#[N:43].[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]2[O:12][CH2:13]2)[NH:14][C:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]([OH:12])[CH2:13][NH:40][CH:31]2[CH2:30][CH:29]([O:28][CH2:25][CH:26]=[CH2:27])[c:37]3[c:32]2[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36]3)[NH:14][C:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:5][c:6]([F:8])[cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 684661956-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-amineHCID 72432655HCID 72432655, compound

Product 1

HCID 178458696HCID 178458696, compound

Sources & evidence

ORD record
ord-d6cf36774d524cb68dcfb28ff8754af3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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