Acetonitrile → HCID 69259345, compound

HRID 142252Notes

Reaction equation

HRID 142252 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][CH2:11][CH3:12])[cH:13][cH:14]1.[CH2:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH:20]([CH3:21])[CH3:22])[CH3:23].[CH3:48][C:49]#[N:50].[Cl:24][C:25]([CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][CH2:35][O:36][c:37]2[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44][cH:45][cH:46]2)[cH:32][cH:33]1)=[O:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]([CH2:11][CH3:12])[C:25]([CH2:26][O:27][c:28]2[cH:29][cH:30][c:31]([CH2:34][CH2:35][O:36][c:37]3[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44][cH:45][cH:46]3)[cH:32][cH:33]2)=[O:47])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 13798684HCID 13798684, compoundHCID 86600967Benzoic acid, 2-[2-[4-(2-chloro-2-oxoethoxy)phenyl]ethoxy]-, methyl ester

Product 1

HCID 69259345HCID 69259345, compound

Sources & evidence

ORD record
ord-ed9df109ccae454d8343137f7992de97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…