Hydrochloric Acid → HCID 178523533, compound

HRID 160224Notes

Reaction equation

HRID 160224 reaction equation
[C:70]([O:71][C:72]([N:73]1[CH2:74][CH2:75][CH:76]([S:77][c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[C:84]([F:85])([F:86])[F:87])[CH2:88][CH2:89]1)=[O:90])([CH3:91])([CH3:92])[CH3:93].[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[ClH:50].[ClH:96].[F:51][C:52]([c:53]1[c:54]([S:59](=[O:60])(=[O:61])[CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:55][cH:56][cH:57][cH:58]1)([F:68])[F:69].[O:97]=[CH:98][N:99]([CH3:100])[CH3:101].[OH2:102].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[OH:94][OH:95].[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:65]3[CH2:64][CH2:63][CH:62]([S:59]([c:54]4[c:53]([C:52]([F:51])([F:68])[F:69])[cH:58][cH:57][cH:56][cH:55]4)(=[O:60])=[O:61])[CH2:67][CH2:66]3)[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid3×HCID 784Hydrogen PeroxideHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66591335HCID 66591335, compoundHCID 66591728HCID 66591728, compoundHCID 178525878HCID 178525878, compound

Product 1

HCID 178523533HCID 178523533, compound

Sources & evidence

ORD record
ord-0bfac6e65d1a4ae8832ea60d7f9443d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…