Acetonitrile → HCID 58614790, compound

HRID 124891Notes

Reaction equation

HRID 124891 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13](-[c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[c:14]([Cl:17])[cH:15][cH:16]2)[cH:24][cH:25][c:26]1[CH2:27][S:28](=[O:29])(=[O:30])[CH3:31].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:57][C:58]#[N:59].[Cl:54][CH2:55][Cl:56]>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13](-[c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[c:14]([Cl:17])[cH:15][cH:16]2)[cH:24][cH:25][c:26]1[CH2:27][S:28](=[O:29])(=[O:30])[CH3:31])[N:42]1[CH2:41][CH2:40][CH2:39][CH2:44][CH2:43]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8082PiperidineHCID 8471TriethylamineHCID 81531DiisopropylethylamineHCID 66877367HCID 66877367, compound

Product 1

HCID 58614790HCID 58614790, compound

Sources & evidence

ORD record
ord-3a1a668155fe4a8dbc766375af207807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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