Hydrogen Bromide → HCID 178427109, compound

HRID 98238Notes

Reaction equation

HRID 98238 reaction equation
[B-:18]([F:19])([F:20])([F:21])[F:22].[Br:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][OH:59])[NH2:60])[n:56]2)[cH:61][cH:62]1.[Br:63].[CH2:69]([OH:70])[CH3:71].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:72][CH2:73][Cl:74].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:60][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Br:49])[cH:62][cH:61]3)[n:56]2)[CH2:58][OH:59])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 120686863-Methyl 4-(pyrrolidin-1-ylcarbonyl)benzoic acidHCID 1785113922-Amino-2-(5-bromo-1H-benzo[d]imidazol-2-yl)ethanol

Product 1

HCID 178427109HCID 178427109, compound

Sources & evidence

ORD record
ord-15e2d4e683a345ef8bda2b0f6d9d1868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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