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Methanol → 4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide

HRID 92588
Notes
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Reaction equation

HRID 92588 reaction equation
[CH3:54][OH:55].[CH3:56][CH:57]([CH3:58])[CH2:59][CH:60]([OH:61])[CH3:62].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1.[NH2:22][c:23]1[c:24]([O:40][CH3:41])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][N:33]([CH2:36][CH3:37])[CH2:34][CH2:35]2)[cH:38][cH:39]1.[OH2:42].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[c:2]1([NH:22][c:23]2[c:24]([O:40][CH3:41])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]3[CH2:31][CH2:32][N:33]([CH2:36][CH3:37])[CH2:34][CH2:35]3)[cH:38][cH:39]2)[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 579699392-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-oneHCID 580150934-amino-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide

Product

1
HCID 686854204-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide

Sources & evidence

ORD record
ord-edb400c32eed47cab302feb492d01f8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes