Hydrochloric Acid → HCID 44548768, compound

HRID 2126290Notes

Reaction equation

HRID 2126290 reaction equation
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[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.[ClH:42].[NH2:43][CH:44]1[CH2:45][CH2:46][N:47]([C:50](=[O:51])[O:52][CH2:53][CH:54]2[c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]3-[c:61]3[cH:62][cH:63][cH:64][cH:65][c:66]32)[CH2:48][CH2:49]1.[OH2:72]>>[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:43][CH:44]5[CH2:45][CH2:46][N:47]([C:50](=[O:51])[O:52][CH2:53][CH:54]6[c:55]7[cH:56][cH:57][cH:58][cH:59][c:60]7-[c:61]7[cH:62][cH:63][cH:64][cH:65][c:66]76)[CH2:48][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

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2756230HCID 2756230, compoundHCID 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 44548768HCID 44548768, compound

Sources & evidence

ORD record
ord-4b93b8a7a6c24ba78f6b303d56cf766b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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