Chloride → HCID 178498540, compound

HRID 314167Notes

Reaction equation

HRID 314167 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[Br:51][c:52]1[cH:53][c:54](-[c:58]2[cH:59][c:60]([CH2:64][O:65][CH:66]3[CH2:67][CH:68]([C:71](=[O:72])[O:73][CH3:74])[NH2+:69][CH2:70]3)[cH:61][cH:62][cH:63]2)[cH:55][cH:56][cH:57]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl-:50].[ClH:75].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:87].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:69]1[CH:68]([C:71](=[O:72])[O:73][CH3:74])[CH2:67][CH:66]([O:65][CH2:64][c:60]2[cH:59][c:58](-[c:54]3[cH:53][c:52]([Br:51])[cH:57][cH:56][cH:55]3)[cH:63][cH:62][cH:61]2)[CH2:70]1)[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 35593192-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acidHCID 178498542HCID 178498542, compound

Product 1

HCID 178498540HCID 178498540, compound

Sources & evidence

ORD record
ord-c08df158254b473b92a0c9602e79dbed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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