Hydrochloric Acid → HCID 86761173, compound

HRID 1545513Notes

Reaction equation

HRID 1545513 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH2:31][c:32]1[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][cH:40]1.[CH2:59]([N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68])[CH3:69].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:70][C:71]#[N:72].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[ClH:58].[OH2:73].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[c:1]1([C:7]2([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[O:8][C:9](=[O:16])[N:10]3[CH:11]2[CH2:12][NH:13][CH2:14][CH2:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[O:8][C:9](=[O:16])[N:10]3[CH:11]2[CH2:12][N:13]([C:35]([c:34]2[cH:33][c:32]([CH2:31][NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[cH:40][cH:39][cH:38]2)=[O:36])[CH2:14][CH2:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27559293-(((tert-Butoxycarbonyl)amino)methyl)benzoic acidHCID 231218811,1-Diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one

Product 1

HCID 86761173HCID 86761173, compound

Sources & evidence

ORD record
ord-135e50f9c3c84fd48892a544fdecbd01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…