Hydrochloric Acid → HCID 66755582, compound

HRID 201697Notes

Reaction equation

HRID 201697 reaction equation
[B-:51]([F:52])([F:53])([F:54])[F:55].[C:82]([O:83][CH3:84])([CH3:85])([CH3:86])[CH3:87].[CH3:44][N:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[CH3:73][C:74]#[N:75].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:17]2[n:18][n:19][n:20][cH:21]2)[c:6]([CH2:7][NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:16]1.[ClH:22].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([C:33](=[O:34])[N:35]2[N:36]=[CH:37][CH2:38][CH:39]2[C:40]([OH:41])=[O:42])[OH:43])[cH:30][cH:31]1.[Na+:24].[OH-:23].[OH2:88].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:17]2[n:18][n:19][n:20][cH:21]2)[c:6]([CH2:7][NH:8][C:9](=[O:15])[CH:39]2[N:35]([C:33]([CH:32]([c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[OH:43])=[O:34])[N:36]=[CH:37][CH2:38]2)[cH:16]1

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 15413tert-Butyl methyl etherHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57425264HCID 57425264, compoundHCID 178524568HCID 178524568, compound

Product 1

HCID 66755582HCID 66755582, compound

Sources & evidence

ORD record
ord-6941f2376a8549b48085f3fe4e4536f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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