Chloride → (+/-)-4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carboxylic acid [2-[1,4']bipiperidinyl-1'-yl-1-(6-methoxy-pyridin-3-ylmethyl)-2-oxo-ethyl]-amide

HRID 1238426Notes

Reaction equation

HRID 1238426 reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][n:8][c:9]([O:12][CH3:13])[cH:10][cH:11]1)[NH:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][CH:20]([N:23]2[C:24](=[O:33])[NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[CH2:32]2)[CH2:21][CH2:22]1)=[O:34].[CH3:52][OH:53].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl-:51].[ClH:38].[Li+:37].[NH:39]1[CH2:40][CH2:41][CH:42]([N:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:43][CH2:44]1.[OH-:36].[OH2:35].[OH2:54]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][n:8][c:9]([O:12][CH3:13])[cH:10][cH:11]1)[NH:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][CH:20]([N:23]2[C:24](=[O:33])[NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[CH2:32]2)[CH2:21][CH2:22]1)[N:39]1[CH2:40][CH2:41][CH:42]([N:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:43][CH2:44]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 28486Lithium ionHCID 786071,4'-BipiperidineHCID 596396773-(6-methoxy-pyridin-3-yl)-2-{[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carbonyl]-amino}-propionic acid methyl ester

Product 1

HCID 11758340(+/-)-4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carboxylic acid [2-[1,4']bipiperidinyl-1'-yl-1-(6-methoxy-pyridin-3-ylmethyl)-2-oxo-ethyl]-amide

Sources & evidence

ORD record
ord-8af4d1ca8e834c70a2c4a446c72dd216
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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