Hydrochloric Acid → HCID 178449366, compound

HRID 157689Notes

Reaction equation

HRID 157689 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[OH:33])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[n:26]3[n:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:81]([Cl:82])[Cl:83].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:67].[NH2:68][CH:69]([CH:70]([C:71](=[O:72])[NH:73][CH:74]1[CH2:75][CH2:76]1)[OH:77])[CH2:78][CH2:79][CH3:80].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[NH:68][CH:69]([CH:70]([C:71](=[O:72])[NH:73][CH:74]2[CH2:75][CH2:76]2)[OH:77])[CH2:78][CH2:79][CH3:80])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[n:26]3[n:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 208049823-Amino-N-cyclopropyl-2-hydroxyhexanamideHCID 178487672HCID 178487672, compound

Product 1

HCID 178449366HCID 178449366, compound

Sources & evidence

ORD record
ord-89e443d99817408ea50a53b2628e92b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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