Water → tert-butyl N-[4-[3-[6-cyano-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate

HRID 1539488Notes

Reaction equation

HRID 1539488 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH:31]([CH2:32][C:33](=[O:34])[OH:35])[CH2:36][c:37]1[cH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46]1.[CH3:1][O:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]([CH:17]2[CH2:18][NH:19][CH2:20][CH2:21][CH2:22]2)[n:8][c:9]2[c:10]1[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]2.[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:83].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]([CH:17]2[CH2:18][N:19]([C:33]([CH2:32][CH:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:36][c:37]3[cH:38][c:39]4[cH:40][cH:41][cH:42][cH:43][c:44]4[cH:45][cH:46]3)=[O:34])[CH2:20][CH2:21][CH2:22]2)[n:8][c:9]2[c:10]1[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 533979213-(Boc-amino)-4-(2-naphthyl)butyric AcidHCID 667847863-(3-Methoxypropyl)-2-piperidin-3-ylbenzimidazole-5-carbonitrile

Product 1

HCID 77191047tert-butyl N-[4-[3-[6-cyano-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-7bffac12f76a4aadb077e2cf3196c835
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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