Hydrochloric Acid → methyl 3-[[2-[[4-(N-benzoylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

HRID 291336Notes

Reaction equation

HRID 291336 reaction equation
[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)(=[O:45])[Cl:46].[CH3:47][OH:48].[Cl:49][CH2:50][Cl:51].[ClH:1].[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26]([NH2:27])=[NH:28])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:4][cH:5][cH:6][cH:7]1>>[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26](=[NH:27])[NH:28][C:38]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)=[O:45])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 7412Benzoyl chlorideHCID 18412517Methyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

Product 1

HCID 140435588methyl 3-[[2-[[4-(N-benzoylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Sources & evidence

ORD record
ord-4ce4eaae677d48429ff0619100e6c503
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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