Acetonitrile → HCID 69313631, compound

HRID 169007Notes

Reaction equation

HRID 169007 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][NH:14][c:15]2[cH:16][c:17](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][c:37]1[O:38][CH3:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:54][C:55]#[N:56].[Cl:57][CH2:58][Cl:59].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][N:14]([c:15]2[cH:16][c:17](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[C:32]([c:31]2[cH:30][c:29]([O:28][CH3:27])[c:37]([O:38][CH3:39])[cH:36][cH:35]2)=[O:33])[CH2:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 77070Veratroyl chlorideHCID 69311144HCID 69311144, compound

Product 1

HCID 69313631HCID 69313631, compound

Sources & evidence

ORD record
ord-20adce0aba6d44888bbd358f988ce99d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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