Hydrochloric Acid → Hydrochloric Acid

HRID 321597Notes

Reaction equation

HRID 321597 reaction equation
[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[CH3:53][OH:54].[Cl:55][CH2:56][Cl:57].[ClH:1].[F:8][c:9]1[c:10]([S:16](=[O:17])(=[O:18])[NH:19][c:20]2[c:21]([F:52])[c:22](-[c:26]3[n:27][c:28]([C:48]([CH3:49])([CH3:50])[CH3:51])[s:29][c:30]3-[c:31]3[n:32][c:33]([NH:37][CH2:38][CH2:39][NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[n:34][cH:35][cH:36]3)[cH:23][cH:24][cH:25]2)[cH:11][c:12]([F:15])[cH:13][cH:14]1>>[ClH:1].[F:8][c:9]1[c:10]([S:16](=[O:17])(=[O:18])[NH:19][c:20]2[c:21]([F:52])[c:22](-[c:26]3[n:27][c:28]([C:48]([CH3:49])([CH3:50])[CH3:51])[s:29][c:30]3-[c:31]3[n:32][c:33]([NH:37][CH2:38][CH2:39][NH2:40])[n:34][cH:35][cH:36]3)[cH:23][cH:24][cH:25]2)[cH:11][c:12]([F:15])[cH:13][cH:14]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 579898721,1-Dimethylethyl [2-({4-[4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 57989685N-{3-[5-{2-[(2-Aminoethyl)amino]-4-pyrimidinyl}-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,5-difluorobenzenesulfonamide

Sources & evidence

ORD record
ord-c9f9dabd74124d0f91cc8a71e836b2a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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