4-Cyanothiophene-2-carboxylic acid → HCID 72258744, compound

HRID 1115157Notes

Reaction equation

HRID 1115157 reaction equation
[C:30](#[N:31])[c:32]1[cH:33][c:34]([C:37](=[O:38])[OH:39])[s:35][cH:36]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][C:37]([c:34]4[cH:33][c:32]([C:30]#[N:31])[cH:36][s:35]4)=[O:38])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

3

Sources & evidence

ORD record
ord-658f88691ee842db8fefef333bd9af93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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