Hydrochloric Acid → HCID 66760636, compound

HRID 2140691Notes

Reaction equation

HRID 2140691 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]2[CH2:14][CH:15]([C:18](=[O:19])[OH:20])[CH2:16][CH2:17]2)[CH2:11][CH2:12]1.[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[ClH:42].[NH2:43][CH2:44][C:45](=[O:46])[N:47]([CH3:48])[c:49]1[c:50]([Cl:76])[c:51]([CH2:56][O:57][c:58]2[cH:59][cH:60][cH:61][c:62]3[n:63]([CH2:69][c:70]4[n:71][cH:72][cH:73][cH:74][cH:75]4)[c:64]([O:67][CH3:68])[n:65][c:66]23)[c:52]([Cl:55])[cH:53][cH:54]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]2[CH2:14][CH:15]([C:18](=[O:20])[NH:43][CH2:44][C:45](=[O:46])[N:47]([CH3:48])[c:49]3[c:50]([Cl:76])[c:51]([CH2:56][O:57][c:58]4[cH:59][cH:60][cH:61][c:62]5[n:63]([CH2:69][c:70]6[n:71][cH:72][cH:73][cH:74][cH:75]6)[c:64]([O:67][CH3:68])[n:65][c:66]45)[c:52]([Cl:55])[cH:53][cH:54]3)[CH2:16][CH2:17]2)[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 53413967HCID 53413967, compoundHCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide

Product 1

HCID 66760636HCID 66760636, compound

Sources & evidence

ORD record
ord-fb3df2ae3ae84733b945836ebf30e83c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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