Hydrochloric Acid → 8-[2,6-dichloro-3-[N-methyl-N-[4-(isonicotinamido)cinnamoylglycyl]amino]-benzyloxy]-2-methyl-4-(2-pyridylmethoxy)quinoline

HRID 135260Notes

Reaction equation

HRID 135260 reaction equation
[C:36]([c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1)(=[O:43])[NH:44][c:45]1[cH:46][cH:47][c:48]([CH:49]=[CH:50][C:51](=[O:52])[OH:53])[cH:54][cH:55]1.[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[ClH:56].[NH2:1][CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:35])[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][cH:15][c:16]3[c:17]([O:23][CH2:24][c:25]4[n:26][cH:27][cH:28][cH:29][cH:30]4)[cH:18][c:19]([CH3:22])[n:20][c:21]23)[c:31]([Cl:34])[cH:32][cH:33]1.[OH2:83].[OH:68][n:69]1[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:35])[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][cH:15][c:16]3[c:17]([O:23][CH2:24][c:25]4[n:26][cH:27][cH:28][cH:29][cH:30]4)[cH:18][c:19]([CH3:22])[n:20][c:21]23)[c:31]([Cl:34])[cH:32][cH:33]1)[C:51]([CH:50]=[CH:49][c:48]1[cH:47][cH:46][c:45]([NH:44][C:36]([c:37]2[cH:38][cH:39][n:40][cH:41][cH:42]2)=[O:43])[cH:55][cH:54]1)=[O:52]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 232920198-[3-(N-glycyl-N-methylamino)-2,6-dichlorobenzyloxy]-2-methyl-4-(2-pyridylmethoxy)quinolineHCID 543658304-(Isonicotinamido)cinnamic acid

Product 1

HCID 541948268-[2,6-dichloro-3-[N-methyl-N-[4-(isonicotinamido)cinnamoylglycyl]amino]-benzyloxy]-2-methyl-4-(2-pyridylmethoxy)quinoline

Sources & evidence

ORD record
ord-0e5360ecfac34c5aa292642d673c2272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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