Hydrochloric Acid → HCID 57855665, compound

HRID 1145321Notes

Reaction equation

HRID 1145321 reaction equation
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:10]1([CH2:13][O:14][c:15]2[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22][cH:23]2)[CH2:11][CH2:12]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[O:46]=[C:47]([CH2:48][NH:49][C:50](=[O:51])[c:52]1[cH:53][cH:54][c:55](-[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:56][cH:57]1)[N:64]1[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[CH:10]1([CH2:13][O:14][c:15]2[c:16]([C:17](=[O:19])[N:67]3[CH2:66][CH2:65][N:64]([C:47](=[O:46])[CH2:48][NH:49][C:50](=[O:51])[c:52]4[cH:53][cH:54][c:55](-[c:58]5[cH:59][cH:60][cH:61][cH:62][cH:63]5)[cH:56][cH:57]4)[CH2:69][CH2:68]3)[cH:20][cH:21][cH:22][cH:23]2)[CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 149555282-(CyclopropylMethoxy)-benzoic acidHCID 57855677Biphenyl-4-carboxylicacid (2-oxo-2-piperazin-1-yl-ethyl)-amide

Product 1

HCID 57855665HCID 57855665, compound

Sources & evidence

ORD record
ord-978aa2d34e2744aebe77f466561911c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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