Dichloromethane → 2-[4-(4-Amino-piperidine-1-carbonyl)-2-methoxy-phenylamino]-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 2340483Notes

Reaction equation

HRID 2340483 reaction equation
[CH2:55]1[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1.[Cl:61][CH2:62][Cl:63].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:54]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24]([c:25]2[cH:26][c:27]([O:51][CH3:52])[c:28]([NH:31][c:32]3[n:33][cH:34][c:35]4[c:36]([n:50]3)[N:37]([CH:46]3[CH2:47][CH2:48][CH2:49]3)[CH2:38][C:39]([F:44])([F:45])[C:40](=[O:43])[N:41]4[CH3:42])[cH:29][cH:30]2)=[O:53])[CH2:22][CH2:23]1>>[NH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24]([c:25]2[cH:26][c:27]([O:51][CH3:52])[c:28]([NH:31][c:32]3[n:33][cH:34][c:35]4[c:36]([n:50]3)[N:37]([CH:46]3[CH2:47][CH2:48][CH2:49]3)[CH2:38][C:39]([F:44])([F:45])[C:40](=[O:43])[N:41]4[CH3:42])[cH:29][cH:30]2)=[O:53])[CH2:22][CH2:23]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 8082PiperidineHCID 67076240HCID 67076240, compound

Product 1

HCID 445470512-[4-(4-Amino-piperidine-1-carbonyl)-2-methoxy-phenylamino]-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-44e080b067aa4f86b87504ae6b505bf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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