Water → HCID 178462499, compound

HRID 292371Notes

Reaction equation

HRID 292371 reaction equation
[C:37]12([CH2:38][S:39]([OH:40])(=[O:41])=[O:42])[C:43]([CH3:44])([CH3:45])[CH:46]([CH2:47][CH2:48]1)[CH2:49][C:50]2=[O:51].[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][c:6]2[c:7]([c:10]([NH2:16])[cH:11][cH:12][c:13]2[O:14][CH3:15])[CH2:8][CH2:9]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][CH:25]2[CH:26]([NH:31][S:32](=[O:33])(=[O:34])[CH3:35])[CH2:27][CH2:28][CH2:29][CH2:30]2)[n:23]1.[OH2:56]>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][c:6]2[c:7]([c:10]([NH:16][c:18]3[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][CH:25]4[CH:26]([NH:31][S:32](=[O:33])(=[O:34])[CH3:35])[CH2:27][CH2:28][CH2:29][CH2:30]4)[n:23]3)[cH:11][cH:12][c:13]2[O:14][CH3:15])[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 962WaterHCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 672641813-Ethyl-9-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ylamineHCID 86633859N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-cyclohexyl]-methanesulfonamide

Product 1

HCID 178462499HCID 178462499, compound

Sources & evidence

ORD record
ord-3bb6d3287d324f2eb328cb29852b8a82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…