Allitinib metabolite M6 → HCID 67335614, compound

HRID 1229172Notes

Reaction equation

HRID 1229172 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH:6]([C:7]([NH:8][c:9]1[cH:10][c:11]2[c:12]([NH:19][c:20]3[cH:21][c:22]([Cl:35])[c:23]([O:26][CH2:27][c:28]4[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]4)[cH:24][cH:25]3)[n:13][cH:14][n:15][c:16]2[cH:17][cH:18]1)=[O:36])[NH2:37])=[O:38].[Cl:39][c:40]1[cH:41][c:42]([NH:43][c:44]2[c:45]3[c:46]([cH:47][cH:48][c:49]([NH2:50])[cH:51]3)[n:52][cH:53][n:54]2)[cH:55][cH:56][c:57]1[O:58][CH2:59][c:60]1[cH:61][cH:62][cH:63][c:64]([F:65])[cH:66]1>>[CH2:3]1[CH2:4][CH2:5][CH:6]([C:7]([NH:8][c:9]2[cH:10][c:11]3[c:12]([NH:19][c:20]4[cH:21][c:22]([Cl:35])[c:23]([O:26][CH2:27][c:28]5[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]5)[cH:24][cH:25]4)[n:13][cH:14][n:15][c:16]3[cH:17][cH:18]2)=[O:36])[NH:37]1

Participants

3

Reactant 2

HCID 53630477Allitinib metabolite M6HCID 178500534HCID 178500534, compound

Product 1

HCID 67335614HCID 67335614, compound

Sources & evidence

ORD record
ord-750c1cf6cac14526978a6b6343b84c2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…