Methyl iodide → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylazepan-4-yl)benzamide

HRID 189157Notes

Reaction equation

HRID 189157 reaction equation
[CH3:40][I:41].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([O:37][CH3:38])[c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:36]3)[N:22]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[CH2:23][C:24]([F:29])([F:30])[C:25](=[O:28])[N:26]4[CH3:27])[cH:14][cH:15]2)=[O:39])[CH2:5][CH2:6][CH2:7]1>>[N:1]1([CH3:40])[CH2:2][CH2:3][CH:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([O:37][CH3:38])[c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:36]3)[N:22]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[CH2:23][C:24]([F:29])([F:30])[C:25](=[O:28])[N:26]4[CH3:27])[cH:14][cH:15]2)=[O:39])[CH2:5][CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 6328Methyl iodideHCID 25253221HCID 25253221, compound

Product 1

HCID 252532224-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylazepan-4-yl)benzamide

Sources & evidence

ORD record
ord-bd19a1d03fc6472c9645efbecdda47ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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