Chloride → methyl 3-[[1-methyl-2-[[4-[N-(pyridine-3-carbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

HRID 1569074Notes

Reaction equation

HRID 1569074 reaction equation
[C:39]([c:40]1[cH:41][n:42][cH:43][cH:44][cH:45]1)(=[O:46])[OH:47].[CH3:48][OH:49].[Cl-:38].[Cl:50][CH2:51][Cl:52].[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:39]([c:40]5[cH:41][n:42][cH:43][cH:44][cH:45]5)=[O:46])[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

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 887MethanolHCID 938Nicotinic AcidHCID 6344DichloromethaneHCID 18412517Methyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

Product 1

HCID 140409616methyl 3-[[1-methyl-2-[[4-[N-(pyridine-3-carbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Sources & evidence

ORD record
ord-a83f92494ce44be5a6ee6f0c34e6af0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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