Water → HCID 44548614, compound

HRID 1546820Notes

Reaction equation

HRID 1546820 reaction equation
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[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]([CH3:43])([CH3:44])[N:45]1[CH2:46][CH2:47][CH:48]([NH2:51])[CH2:49][CH2:50]1.[OH2:57]>>[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])[NH:51][CH:48]5[CH2:47][CH2:46][N:45]([CH:42]([CH3:43])[CH3:44])[CH2:50][CH2:49]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 31633331-(Propan-2-yl)piperidin-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 44548614HCID 44548614, compound

Sources & evidence

ORD record
ord-f27e98c722624147a2c01d63de8883d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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