Ammonia → 2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzamide

HRID 2123753Notes

Reaction equation

HRID 2123753 reaction equation
[CH2:76]([Cl:77])[Cl:78].[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH:9]3[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]3[CH2:15][CH2:16][C:17]1([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32][cH:33]3)[CH2:21][CH2:22]1)[cH:40][cH:41][cH:42][cH:43]2.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[NH3:44].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH:9]3[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]3[CH2:15][CH2:16][C:17]1([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([C:27](=[O:28])[NH2:47])[cH:30][cH:31][cH:32][cH:33]3)[CH2:21][CH2:22]1)[cH:40][cH:41][cH:42][cH:43]2

Participants

7

Reactant 6

HCID 222AmmoniaHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 545850052-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzoic acid

Product 1

HCID 587286492-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzamide

Sources & evidence

ORD record
ord-b6309d4bc9774773a2e717427b048ac1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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