Water → HCID 44548613, compound

HRID 669087Notes

Reaction equation

HRID 669087 reaction equation
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[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]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:42]1([N:47]2[CH2:48][CH2:49][CH:50]([NH2:53])[CH2:51][CH2:52]2)[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:59]>>[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:53][CH:50]5[CH2:49][CH2:48][N:47]([CH:42]6[CH2:43][CH2:44][CH2:45][CH2:46]6)[CH2:52][CH2:51]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 47782401-cyclopentylpiperidin-4-amineHCID 252529054-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

Product 1

HCID 44548613HCID 44548613, compound

Sources & evidence

ORD record
ord-d3d9b5e9c09a46369cb701b59f84fb00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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