Dimethylformamide → 4-[(2-cyclopentyl-4,4,6-trimethyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide

HRID 211942Notes

Reaction equation

HRID 211942 reaction equation
[CH:1]1([N:6]2[c:7]3[n:8][c:9]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:10][cH:11][c:12]3[N:13]([CH3:20])[C:14](=[O:19])[C:15]([CH3:17])([CH3:18])[CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[N:33]1([CH:38]2[CH2:39][CH2:40][CH:41]([NH2:44])[CH2:42][CH2:43]2)[CH2:34][CH2:35][CH2:36][CH2:37]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[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>>[CH:1]1([N:6]2[c:7]3[n:8][c:9]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:44][CH:41]5[CH2:40][CH2:39][CH:38]([N:33]6[CH2:34][CH2:35][CH2:36][CH2:37]6)[CH2:43][CH2:42]5)[cH:29][cH:30]4)[n:10][cH:11][c:12]3[N:13]([CH3:20])[C:14](=[O:19])[C:15]([CH3:17])([CH3:18])[CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21882596Cyclohexanamine, 4-(1-pyrrolidinyl)-, trans-(9CI)HCID 426107874-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

Product 1

HCID 581539494-[(2-cyclopentyl-4,4,6-trimethyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide

Sources & evidence

ORD record
ord-d1af7dec29e1459f870c9547230080d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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