Bromide ion → 5-aminocarbonylamino-1-{1-[4-(4-amino-3,5-dibromophenyl)-4-oxobutyl]-4-piperidinyl}-1,3-dihydro-2(2H)-benzimidazolone

HRID 94105Notes

Reaction equation

HRID 94105 reaction equation
[Br-:37].[Br:39][Br:40].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[ClH:1].[K+:38].[NH2:6][c:7]1[cH:8][c:9]2[c:10]([n:11]([CH:15]3[CH2:16][CH2:17][N:18]([CH2:21][CH2:22][CH2:23][C:24](=[O:25])[c:26]4[cH:27][c:28]([Br:34])[c:29]([NH2:33])[c:30]([Br:32])[cH:31]4)[CH2:19][CH2:20]3)[c:12](=[O:14])[nH:13]2)[cH:35][cH:36]1.[Na:2][O:3][C:4]#[N:5]>>[O:3]=[C:4]([NH2:5])[NH:6][c:7]1[cH:8][c:9]2[c:10]([n:11]([CH:15]3[CH2:16][CH2:17][N:18]([CH2:21][CH2:22][CH2:23][C:24](=[O:25])[c:26]4[cH:27][c:28]([Br:34])[c:29]([NH2:33])[c:30]([Br:32])[cH:31]4)[CH2:19][CH2:20]3)[c:12](=[O:14])[nH:13]2)[cH:35][cH:36]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 24408BromineHCID 211098785-amino-1-{1-[4-(4-amino-3,5-dibromophenyl)-4-oxobutyl]-4-piperidinyl}-1,3-dihydro-2(2H)-benzimidazoloneHCID 178418852HCID 178418852, compound

Product 1

HCID 211098795-aminocarbonylamino-1-{1-[4-(4-amino-3,5-dibromophenyl)-4-oxobutyl]-4-piperidinyl}-1,3-dihydro-2(2H)-benzimidazolone

Sources & evidence

ORD record
ord-d2deb6421e42417ca1c6c7106438c25f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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