Hydrogen Bromide → 1-[3-{4-[(4-chloro-2-nitrophenyl)amino]-1-piperidinyl}propyl]-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

HRID 697885Notes

Reaction equation

HRID 697885 reaction equation
[BrH:18].[CH3:45][CH:46]([CH3:47])[CH2:48][C:49](=[O:50])[CH3:51].[Cl:19][c:20]1[cH:21][c:22]([N+:33](=[O:34])[O-:35])[c:23]([NH:26][CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:24][cH:25]1.[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[I-:43].[K+:42].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:44]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:30]1[CH2:29][CH2:28][CH:27]([NH:26][c:23]2[c:22]([N+:33](=[O:34])[O-:35])[cH:21][c:20]([Cl:19])[cH:25][cH:24]2)[CH2:32][CH2:31]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 30173591-(3-Chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-oneHCID 20385546N-(4-chloro-2-nitrophenyl)piperidin-4-amine

Product 1

HCID 203856271-[3-{4-[(4-chloro-2-nitrophenyl)amino]-1-piperidinyl}propyl]-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-b6bbc15bcb8243e7ae95b3f5de0b9f58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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