Acetonitrile → T6787352

HRID 1219719Notes

Reaction equation

HRID 1219719 reaction equation
[CH2:18]1[CH2:19][CH2:20][C:21]2=[N:26][CH2:25][CH2:24][CH2:23][N:22]2[CH2:27][CH2:28]1.[CH3:39][C:40]#[N:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[c:7]2[cH:8][cH:9][n:10][cH:11][c:12]2[cH:13][cH:14][cH:15]1)([Cl:16])[Cl:17].[F:29][c:30]1[cH:31][c:32]([CH2:36][CH2:37][NH2:38])[cH:33][cH:34][cH:35]1>>[C:3](=[O:4])([NH:5][c:6]1[c:7]2[cH:8][cH:9][n:10][cH:11][c:12]2[cH:13][cH:14][cH:15]1)[NH:38][CH2:37][CH2:36][c:32]1[cH:31][c:30]([F:29])[cH:35][cH:34][cH:33]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5339282-(3-Fluorophenyl)ethanamineHCID 88932512,2,2-trichloro-N-isoquinolin-5-ylacetamide

Product 1

HCID 9839628T6787352

Sources & evidence

ORD record
ord-f864fd1d308146ceb168d7724d6fbdc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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