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

HRID 176970
Notes
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Reaction equation

HRID 176970 reaction equation
[CH2:48]([OH:49])[CH3:50].[Cl:38][C:39](=[O:40])[O:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[Cl:51][CH2:52][Cl:53].[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][CH3:37])[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:39](=[O:40])[O:41][CH:42]5[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]5)[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:3][cH:4][cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 83262Carbonochloridic acid, cyclohexyl esterHCID 18412702methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

Product 1

HCID 140435600
methyl 3-(N-[2-[[4-(N-cyclohexyloxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

Sources & evidence

ORD record
ord-96197d3d0f634997b70a8013d6e62a9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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