Hydrochloric Acid → HCID 58015083, compound

HRID 315629

Reaction equation

HRID 315629 reaction equation
[CH2:35]([OH:36])[CH3:37].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[ClH:33].[NH2:22][c:23]1[c:24]([F:32])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]1.[OH2:34]>>[c:2]1([NH:22][c:23]2[c:24]([F:32])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]2)[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 99714-Amino-3-fluorobenzoic acidHCID 579555742-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

Product 1

HCID 58015083HCID 58015083, compound

Sources & evidence

ORD record
ord-3bffbc00d0e24dddb94f73537e5a3beb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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