Hydrochloric Acid → HCID 178446387, compound

HRID 1201864Notes

Reaction equation

HRID 1201864 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19])[CH:20]1[CH2:21][CH2:22]1.[C:89]([O:90][CH2:91][CH3:92])(=[O:93])[CH3:94].[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[Cl:74][CH2:75][Cl:76].[ClH:23].[OH:24][CH:25]1[CH2:26][CH:27]([C:30](=[O:31])[NH:32][C:33]2([C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH:34]([CH:36]=[CH2:37])[CH2:35]2)[NH:28][CH2:29]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:28]1[CH:27]([C:30](=[O:31])[NH:32][C:33]2([C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH:34]([CH:36]=[CH2:37])[CH2:35]2)[CH2:26][CH:25]([OH:24])[CH2:29]1)[CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19])[CH:20]1[CH2:21][CH2:22]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668712681-[(4-Hydroxy-pyrrolidine-2-carbonyl)-amino]-2-vinyl-cyclopropanecarboxylic acid ethyl esterHCID 673293063-[Cyclopropyl(pent-4-enyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Product 1

HCID 178446387HCID 178446387, compound

Sources & evidence

ORD record
ord-9157d6e9d3164fd58d8d31c981162b4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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