Hydrochloric Acid → HCID 77604017, compound

HRID 2162599Notes

Reaction equation

HRID 2162599 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[OH:24])[cH:18][cH:19]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[ClH:1].[ClH:25].[ClH:2].[NH2:3][CH2:4][CH:5]([OH:6])[c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1.[Na+:49].[OH-:48].[OH2:37].[OH2:55].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[NH:3]([CH2:4][CH:5]([OH:6])[c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1)[C:22]([CH2:21][CH2:20][c:17]1[cH:16][cH:15][c:14]([Br:13])[cH:19][cH:18]1)=[O:23]

Participants

11

Reactant 10

HCID 313Hydrochloric Acid3×HCID 923Sodium ionHCID 961HydroxideHCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27356093-(4-Bromophenyl)propionic acidHCID 37105942-Amino-1-(pyridin-3-yl)ethan-1-ol

Product 1

HCID 77604017HCID 77604017, compound

Sources & evidence

ORD record
ord-938e8f1c8664457ea33d305c275d1403
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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