Hydrochloric Acid → HCID 58728166, compound

HRID 196613Notes

Reaction equation

HRID 196613 reaction equation
[CH2:48]([N:49]([CH2:50][CH3:51])[CH2:52][CH3:53])[CH3:54].[CH3:35][O:36][C:37]([c:38]1[cH:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][cH:46]1)=[O:47].[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:70][N:71]([CH3:72])[c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[Cl:67][CH2:68][Cl:69].[ClH:1].[ClH:2].[ClH:55]>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([C:42]([c:41]3[cH:40][cH:39][c:38]([C:37]([O:36][CH3:35])=[O:47])[cH:46][cH:45]3)=[O:43])[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 15513Monomethyl terephthalateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 587278272-Methyl-1-{8-[2-(4-phenyl-4-piperidinyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazole

Product 1

HCID 58728166HCID 58728166, compound

Sources & evidence

ORD record
ord-6c09d905aea0491fac810b83df5e0d83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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