Hydrochloric Acid → HCID 178502678, compound

HRID 1121313Notes

Reaction equation

HRID 1121313 reaction equation
[CH3:48][NH:49][O:50][CH3:51].[CH3:53][CH2:54][OH:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:47].[ClH:52].[Na+:29].[O:1]1[CH:2]([O:7][CH:8]2[CH2:9][CH:10]([C:23]([O:25][CH2:24][CH3:26])=[O:27])[N:11]([C:13](=[O:14])[O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH-:28].[OH2:61].[c:30]1([P:31]([N:32]=[N+:33]=[N-:34])([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[O:1]1[CH:2]([O:7][CH:8]2[CH2:9][CH:10]([C:23](=[O:25])[N:49]([CH3:48])[O:50][CH3:51])[N:11]([C:13](=[O:14])[O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 199401P,P-Diphenylphosphinic azideHCID 178469288HCID 178469288, compound

Product 1

HCID 178502678HCID 178502678, compound

Sources & evidence

ORD record
ord-055db6cae61e461a9e89799b208bb0b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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