Dimethylformamide → 4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-N-(4-(4-(cyclopropylmethyl)-1,4-diazepan-1-yl)cyclohexyl)-3-methoxybenzamide

HRID 109571Notes

Reaction equation

HRID 109571 reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([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:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]3([CH2:12][CH2:13]3)[CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH:64]1([CH2:67][N:68]2[CH2:69][CH2:70][N:71]([CH:75]3[CH2:76][CH2:77][CH:78]([NH2:81])[CH2:79][CH2:80]3)[CH2:72][CH2:73][CH2:74]2)[CH2:65][CH2:66]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:81][CH:78]5[CH2:77][CH2:76][CH:75]([N:71]6[CH2:70][CH2:69][N:68]([CH2:67][CH:64]7[CH2:65][CH2:66]7)[CH2:74][CH2:73][CH2:72]6)[CH2:80][CH2:79]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]3([CH2:12][CH2:13]3)[CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 576350144-[(9-cyclopentyl-6,7,8,9-tetrahydro-5-methyl-6-oxospiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-2-yl)amino]-3-methoxybenzoic acidHCID 581539634-(4-(Cyclopropylmethyl)-1,4-diazepan-1-yl)cyclohexanamine

Product 1

HCID 426405674-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-N-(4-(4-(cyclopropylmethyl)-1,4-diazepan-1-yl)cyclohexyl)-3-methoxybenzamide

Sources & evidence

ORD record
ord-1f22efe77d3a42669850506de812af23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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