Water → HCID 178492669, compound

HRID 1226851Notes

Reaction equation

HRID 1226851 reaction equation
[CH3:53][CH:54]([CH3:55])[CH2:56][CH:57]([OH:58])[CH3:59].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1.[NH2:22][c:23]1[cH:24][c:25]([F:40])[c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:36][c:37]1[O:38][CH3:39].[OH2:41].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([OH:48])(=[O:49])=[O:50])[cH:51][cH:52]1>>[c:2]1([NH:22][c:23]2[cH:24][c:25]([F:40])[c:26]([C:27](=[O:28])[NH:29][CH:30]3[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:36][c:37]2[O:38][CH3:39])[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 579699392-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-oneHCID 68848245HCID 68848245, compound

Product 1

HCID 178492669HCID 178492669, compound

Sources & evidence

ORD record
ord-00e5622532274e96b6c9964f4e9c4f5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…