Acetonitrile → HCID 178428075, compound

HRID 700212Notes

Reaction equation

HRID 700212 reaction equation
[C:17](#[N:18])[C:19]1([NH:22][C:23](=[O:24])[CH:25]2[N:26]([c:44]3[n:45]([CH:50]4[CH2:51][CH2:52][CH2:53]4)[n:46][c:47]([CH3:49])[cH:48]3)[CH2:27][CH:28]([S:30](=[O:31])(=[O:32])[c:33]3[c:34]([C:40]([F:41])([F:42])[F:43])[cH:35][c:36]([F:39])[cH:37][cH:38]3)[CH2:29]2)[CH2:20][CH2:21]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:54][C:55]#[N:56].[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:36]2[cH:35][c:34]([C:40]([F:41])([F:42])[F:43])[c:33]([S:30]([CH:28]3[CH2:27][N:26]([c:44]4[n:45]([CH:50]5[CH2:51][CH2:52][CH2:53]5)[n:46][c:47]([CH3:49])[cH:48]4)[CH:25]([C:23]([NH:22][C:19]4([C:17]#[N:18])[CH2:20][CH2:21]4)=[O:24])[CH2:29]3)(=[O:31])=[O:32])[cH:38][cH:37]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 178428063HCID 178428063, compound

Product 1

HCID 178428075HCID 178428075, compound

Sources & evidence

ORD record
ord-60535302d5304deabd40fa0faee77801
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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