Hydrochloric Acid → Hydrochloric Acid

HRID 1146298Notes

Reaction equation

HRID 1146298 reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:32][CH:33]([NH2:34])[CH3:35].[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:23]([CH3:24])([CH3:25])[N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31].[Cl:1][c:2]1[n:3][c:4]([NH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[n:7]1.[ClH:42].[OH2:52]>>[ClH:1].[c:2]1([NH:26][CH:23]([CH3:24])[CH3:25])[n:3][c:4]([NH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[n:7]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 6363IsopropylamineHCID 8857Ethyl Acetate2×HCID 81531DiisopropylethylamineHCID 230331686-Chloro-N~2~-(4-fluorophenyl)-N~4~-phenyl-1,3,5-triazine-2,4-diamine

Product 2

HCID 313Hydrochloric AcidHCID 67213128HCID 67213128, compound

Sources & evidence

ORD record
ord-4fec3a7cf29d4b0ab00d5a37f0344868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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