Hydrochloric Acid → propyl 3-(N-[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

HRID 2309953Notes

Reaction equation

HRID 2309953 reaction equation
[CH2:50]([OH:51])[CH3:52].[Cl:40][C:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl:53][CH2:54][Cl:55].[ClH:1].[c:2]1([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][CH2:37][CH2:38][CH3:39])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([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:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH2:38][CH3:39])[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 22466Hexyl chloroformateHCID 18412550HCID 18412550, compound

Product 1

HCID 140409621propyl 3-(N-[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

Sources & evidence

ORD record
ord-3928d02c3e0e41f5983bc06b6e85b1f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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