Acetonitrile → HCID 178483360, compound

HRID 2314590Notes

Reaction equation

HRID 2314590 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:50][C:51]#[N:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH:14]2[CH:15]([NH2:20])[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:6][cH:7]1.[c:28]1([O:34][C:35](=[O:29])[NH:36][c:37]2[cH:38][c:39](-[c:43]3[n:44][n:45][n:46][n:47]3[CH3:48])[cH:40][cH:41][cH:42]2)[cH:30][cH:31][cH:32][cH:33][cH:49]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH:14]2[CH:15]([NH:20][C:35](=[O:34])[NH:36][c:37]3[cH:38][c:39](-[c:43]4[n:44][n:45][n:46][n:47]4[CH3:48])[cH:40][cH:41][cH:42]3)[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 22252681phenyl 3-(1-methyl-1H-tetraazol-5-yl)phenylcarbamateHCID 178483359HCID 178483359, compound

Product 1

HCID 178483360HCID 178483360, compound

Sources & evidence

ORD record
ord-f20c89a8a3d24e96be7f6ba91203fbf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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