Hydrochloric Acid → HCID 178452358, compound

HRID 1573610Notes

Reaction equation

HRID 1573610 reaction equation
[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1.[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:58][N:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:88]([OH:89])([CH3:90])[CH3:91].[ClH:33].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[c:10]([C:13](=[O:14])[OH:15])[n:11][nH:12]2)[cH:6][cH:7]1.[Na+:80].[O-:76][C:77]([OH:78])=[O:79].[OH2:22].[OH:23][n:24]1[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1.[c:81]1([CH3:82])[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[c:10]([C:13](=[O:14])[N:55]3[CH2:54][CH2:53][N:52]([C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:51])[CH2:57][CH2:56]3)[n:11][nH:12]2)[cH:6][cH:7]1

Participants

14

Reactant 13

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 3776IsopropanolHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 143452tert-Butyl piperazine-1-carboxylateHCID 178524957HCID 178524957, compound

Product 1

HCID 178452358HCID 178452358, compound

Sources & evidence

ORD record
ord-1380c73ecc064d4aaa3bb2ac98577dc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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