Hydrochloric Acid → HCID 178443671, compound

HRID 1562219Notes

Reaction equation

HRID 1562219 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][CH:37]([C:38](=[O:39])[OH:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH:46]=[CH2:47].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[ClH:28].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[c:1]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:2][cH:3][c:4]([C:7]2([S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][CH3:21])[CH2:8][CH:9]([C:12](=[O:13])[O:14][CH3:15])[NH:10][CH2:11]2)[cH:5][cH:6]1.[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[c:1]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:2][cH:3][c:4]([C:7]2([S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][CH3:21])[CH2:8][CH:9]([C:12](=[O:13])[O:14][CH3:15])[N:10]([C:38]([CH:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH:46]=[CH2:47])=[O:39])[CH2:11]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 222502222-((tert-Butoxycarbonyl)amino)non-8-enoic acidHCID 67051498HCID 67051498, compound

Product 1

HCID 178443671HCID 178443671, compound

Sources & evidence

ORD record
ord-68566bd9f3d04740a65c5ca32babdecd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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