Hydrochloric Acid → HCID 59442045, compound

HRID 1132697Notes

Reaction equation

HRID 1132697 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[NH2:12])[N:8]([S:13](=[O:14])(=[O:15])[c:16]1[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[CH2:7][CH2:6]2.[Cl:23][c:24]1[n:25][c:26]([NH:43][c:44]2[c:45]([C:46](=[O:47])[NH2:48])[c:49]([F:53])[cH:50][cH:51][cH:52]2)[c:27]2[c:28]([n:29]1)[n:30]([S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]1)[cH:31][cH:32]2.[ClH:54].[Na+:71].[O-:67][C:68]([OH:69])=[O:70].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH:61][CH2:62][C:63]([F:64])([F:65])[F:66]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[NH:12][c:24]1[n:25][c:26]([NH:43][c:44]3[c:45]([C:46](=[O:47])[NH2:48])[c:49]([F:53])[cH:50][cH:51][cH:52]3)[c:27]3[c:28]([n:29]1)[n:30]([S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]1)[cH:31][cH:32]3)[N:8]([S:13](=[O:14])(=[O:15])[c:16]1[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[CH2:7][CH2:6]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 64092,2,2-TrifluoroethanolHCID 312751,4-DioxaneHCID 59441716HCID 59441716, compoundHCID 866441882-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

Product 1

HCID 59442045HCID 59442045, compound

Sources & evidence

ORD record
ord-24b646b10780475ea985327fb85c547a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…