Ammonia → HCID 20083492, compound

HRID 173716Notes

Reaction equation

HRID 173716 reaction equation
[C:42]([CH2:43][CH2:44][CH2:45][CH3:46])(=[O:47])[Cl:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([NH:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[NH3:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([N:17]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[C:42]([CH2:43][CH2:44][CH2:45][CH3:46])=[O:47])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 8857Ethyl AcetateHCID 61186Valeryl chlorideHCID 81531DiisopropylethylamineHCID 20083502HCID 20083502, compound

Product 1

HCID 20083492HCID 20083492, compound

Sources & evidence

ORD record
ord-e92c05350465417ab62b50e59eee3205
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…