Acetonitrile → 1-(benzo[d][1,3]dioxol-5-yl)-N-(4-(2-methylthiazol-4-yl)phenyl)cyclopropane-carboxamide

HRID 204158Notes

Reaction equation

HRID 204158 reaction equation
[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[n:6]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:60][C:61]#[N:62].[F:36][P-:37]([F:38])([F:39])([F:40])([F:41])[F:42].[O:14]1[CH2:15][O:16][c:17]2[c:18]1[cH:19][cH:20][c:21]([C:23]1([C:26](=[O:27])[OH:28])[CH2:24][CH2:25]1)[cH:22]2.[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH:11][C:26]([C:23]3([c:21]4[cH:20][cH:19][c:18]5[c:17]([cH:22]4)[O:16][CH2:15][O:14]5)[CH2:24][CH2:25]3)=[O:27])[cH:12][cH:13]2)[n:6]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 1526842-Methyl-4-(4-aminophenyl)thiazoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 143496081-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid

Product 1

HCID 592061661-(benzo[d][1,3]dioxol-5-yl)-N-(4-(2-methylthiazol-4-yl)phenyl)cyclopropane-carboxamide

Sources & evidence

ORD record
ord-45478517b5a64898b22edb9cdb7c8648
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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