Chloride → HCID 67482695, compound

HRID 2342933Notes

Reaction equation

HRID 2342933 reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([CH2:49][CH2:50][NH2:51])=[O:52].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl-:31].[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:10][N:11]([CH:15]([CH3:16])[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]3)[C:12](=[O:14])[CH2:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[ClH:30].[ClH:42].[Na+:29].[Na+:32].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH-:28].[OH2:97].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][P+:62]([N:63]2[CH2:64][CH2:65][CH2:66][CH2:67]2)([N:68]2[CH2:69][CH2:70][CH2:71][CH2:72]2)[N:73]2[CH2:74][CH2:75][CH2:76][CH2:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:10][N:11]([CH:15]([CH3:16])[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:51][CH2:50][CH2:49][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:52])[cH:26][cH:27]3)[C:12](=[O:14])[CH2:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

13

Reactant 12

HCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 4192171tert-Butyl 3-aminopropanoateHCID 67482987HCID 67482987, compound

Product 1

HCID 67482695HCID 67482695, compound

Sources & evidence

ORD record
ord-a473db0827be4c6bad4f1a1849e0eea8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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