Bromide ion → Bromide ion

HRID 174375Notes

Reaction equation

HRID 174375 reaction equation
[Br-:1].[C:2](#[N:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([CH:15]([C:16]([CH2:17][n:18]3[n:19][cH:20][n+:21]([CH2:23][c:24]4[cH:25][c:26]([CH3:32])[c:27]([OH:31])[c:28]([CH3:30])[cH:29]4)[cH:22]3)([OH:33])[c:34]3[c:35]([F:41])[cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH3:42])[s:13][cH:14]2)[cH:8][cH:9]1.[C:43](=[O:44])([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[N:50]1[CH:51]([C:52](=[O:53])[OH:54])[CH2:55][CH2:56][CH2:57]1.[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[Cl:70][CH2:71][Cl:72].[ClH:58]>>[Br-:1].[C:2](#[N:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([CH:15]([C:16]([CH2:17][n:18]3[n:19][cH:20][n+:21]([CH2:23][c:24]4[cH:25][c:26]([CH3:32])[c:27]([O:31][C:52]([CH:51]5[N:50]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:57][CH2:56][CH2:55]5)=[O:53])[c:28]([CH3:30])[cH:29]4)[cH:22]3)([OH:33])[c:34]3[c:35]([F:41])[cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH3:42])[s:13][cH:14]2)[cH:8][cH:9]1

Participants

8

Reactant 6

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2684721-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidHCID 218441274-[2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1,2,4-triazol-4-ium-1-yl]butan-2-yl]-1,3-thiazol-4-yl]benzonitrile

Product 2

HCID 259Bromide ionHCID 218440981-O-tert-butyl 2-O-[4-[[1-[3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]methyl]-2,6-dimethylphenyl] pyrrolidine-1,2-dicarboxylate

Sources & evidence

ORD record
ord-143326b86858466b9db298877da7bd3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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