Chloride → HCID 11556119, compound

HRID 150975Notes

Reaction equation

HRID 150975 reaction equation
[C:90](=[O:91])([OH:92])[O-:93].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:76][C:77]#[N:78].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH3:9][N:10]([CH3:11])[CH2:12][CH2:13][CH2:14][N:15]=[C:16]=[N:17][CH2:18][CH3:19].[Cl-:58].[Cl-:59].[ClH:30].[ClH:8].[F:31][c:32]1[c:33]([CH:39]2[CH2:40][CH2:41][CH:42]([CH2:54][C:55](=[O:56])[OH:57])[c:43]3[n:44]([c:46]([CH2:49][C:50]([F:51])([F:52])[F:53])[n:47][n:48]3)[CH2:45]2)[cH:34][cH:35][cH:36][c:37]1[F:38].[Na+:94].[O:60]=[c:61]1[n:62]([CH:70]2[CH2:71][CH2:72][NH2+:73][CH2:74][CH2:75]2)[c:63]2[c:64]([nH+:65][cH:66][cH:67][cH:68]2)[nH:69]1.[OH:20][n:21]1[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[F:31][c:32]1[c:33]([CH:39]2[CH2:40][CH2:41][CH:42]([CH2:54][C:55](=[O:56])[N:73]3[CH2:72][CH2:71][CH:70]([n:62]4[c:61](=[O:60])[nH:69][c:64]5[c:63]4[cH:68][cH:67][cH:66][n:65]5)[CH2:75][CH2:74]3)[c:43]3[n:44]([c:46]([CH2:49][C:50]([F:51])([F:52])[F:53])[n:47][n:48]3)[CH2:45]2)[cH:34][cH:35][cH:36][c:37]1[F:38]

Participants

13

Reactant 12

HCID 312Chloride2×HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 67439871HCID 67439871, compoundHCID 178518667HCID 178518667, compound

Product 1

HCID 11556119HCID 11556119, compound

Sources & evidence

ORD record
ord-87ee563ffccd44f390318d729f4466b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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