Acetonitrile → HCID 132085600, compound

HRID 701987Notes

Reaction equation

HRID 701987 reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][CH3:48].[CH3:58][C:59]#[N:60].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[NH2:1][CH:2]([CH2:3][n:4]1[c:5](=[O:33])[n:6]([CH2:21][c:22]2[c:23]([F:32])[cH:24][cH:25][cH:26][c:27]2[C:28]([F:29])([F:30])[F:31])[c:7]([CH3:20])[c:8](-[c:11]2[c:12]([F:19])[c:13]([O:17][CH3:18])[cH:14][cH:15][cH:16]2)[c:9]1=[O:10])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[NH:1]([CH:2]([CH2:3][n:4]1[c:5](=[O:33])[n:6]([CH2:21][c:22]2[c:23]([F:32])[cH:24][cH:25][cH:26][c:27]2[C:28]([F:29])([F:30])[F:31])[c:7]([CH3:20])[c:8](-[c:11]2[c:12]([F:19])[c:13]([O:17][CH3:18])[cH:14][cH:15][cH:16]2)[c:9]1=[O:10])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH2:41][CH2:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][CH3:48]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 76300Ethyl 4-bromobutyrateHCID 81531DiisopropylethylamineHCID 67105397HCID 67105397, compound

Product 1

HCID 132085600HCID 132085600, compound

Sources & evidence

ORD record
ord-39fedc0a3fb1452fa7492b29535575ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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