Hydrochloric Acid → HCID 178449073, compound

HRID 192477Notes

Reaction equation

HRID 192477 reaction equation
[CH2:21]([CH2:22][CH:23]=[CH2:24])[N:25]([S:26](=[O:27])(=[O:28])[c:29]1[c:30]([N+:35](=[O:36])[O-:37])[cH:31][cH:32][cH:33][cH:34]1)[CH2:38][CH2:39][CH:40]([C:41](=[O:42])[OH:43])[NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH:12][C:13](=[O:14])[CH:15]2[NH:16][CH2:17][CH:18]([OH:20])[CH2:19]2)[CH:8]([CH:10]=[CH2:11])[CH2:9]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[ClH:1].[OH2:92].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH:12][C:13](=[O:14])[CH:15]2[N:16]([C:41]([CH:40]([CH2:39][CH2:38][N:25]([CH2:21][CH2:22][CH:23]=[CH2:24])[S:26](=[O:27])(=[O:28])[c:29]3[c:30]([N+:35](=[O:36])[O-:37])[cH:31][cH:32][cH:33][cH:34]3)[NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:42])[CH2:17][CH:18]([OH:20])[CH2:19]2)[CH:8]([CH:10]=[CH2:11])[CH2:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 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 668893044-[But-3-enyl-(2-nitrophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Product 1

HCID 178449073HCID 178449073, compound

Sources & evidence

ORD record
ord-7ace6f5de62045c1a5488ffb36e798af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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