Water → HCID 140457702, compound

HRID 154942Notes

Reaction equation

HRID 154942 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[c:22]([n:23]([CH3:37])[c:24]([CH2:26][CH2:27][c:28]4[cH:29][cH:30][c:31]([C:34]([NH2:35])=[NH:36])[cH:32][cH:33]4)[n:25]3)[cH:38][cH:39]2)[CH2:14][CH2:15]1.[C:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:54])[Cl:55].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[c:22]([n:23]([CH3:37])[c:24]([CH2:26][CH2:27][c:28]4[cH:29][cH:30][c:31]([C:34](=[NH:35])[NH:36][C:47]([c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)=[O:54])[cH:32][cH:33]4)[n:25]3)[cH:38][cH:39]2)[CH2:14][CH2:15]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 225698822-[2-(4-Amidinophenyl)-ethyl]-1-methyl-benzimidazole-5-yl-carboxylic acid-(4-benzamido-piperidinyl)-amide

Product 1

HCID 140457702HCID 140457702, compound

Sources & evidence

ORD record
ord-2567cb4e3fab437a8640749c9220b5e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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