Acetonitrile → 1-(benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropanecarboxamide

HRID 1213972Notes

Reaction equation

HRID 1213972 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][n:10][c:11]([NH2:13])[cH:12]2)[nH:14]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:61][C:62]#[N:63].[F:37][P-:38]([F:39])([F:40])([F:41])([F:42])[F:43].[O:15]1[CH2:16][O:17][c:18]2[c:19]1[cH:20][cH:21][c:22]([C:24]1([C:27](=[O:28])[OH:29])[CH2:25][CH2:26]1)[cH:23]2.[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][n:10][c:11]([NH:13][C:27]([C:24]3([c:22]4[cH:21][cH:20][c:19]5[c:18]([cH:23]4)[O:17][CH2:16][O:15]5)[CH2:25][CH2:26]3)=[O:28])[cH:12]2)[nH:14]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 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 acidHCID 579081612-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-amine

Product 1

HCID 579081551-(benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-302587d8a57f446694f9a31d12e4f785
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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