Allitinib metabolite M6 → HCID 67336524, compound

HRID 1544867Notes

Reaction equation

HRID 1544867 reaction equation
[Cl:35][c:36]1[cH:37][c:38]([NH:39][c:40]2[c:41]3[c:42]([cH:43][cH:44][c:45]([NH2:46])[cH:47]3)[n:48][cH:49][n:51]2)[cH:52][cH:53][c:54]1[O:55][CH2:56][c:57]1[cH:58][cH:59][cH:60][c:61]([F:50])[cH:62]1.[NH2:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]2[c:11]([NH:18][c:19]3[cH:20][c:21]([Cl:34])[c:22]([O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][c:31]([F:32])[cH:33]4)[cH:23][cH:24]3)[n:12][cH:13][n:14][c:15]2[cH:16][cH:17]1>>[NH2:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]2[c:11]([NH:18][c:19]3[cH:20][c:21]([Cl:34])[c:22]([F:50])[cH:23][cH:24]3)[n:12][cH:13][n:14][c:15]2[cH:16][cH:17]1

Participants

3

Reactant 2

HCID 53630477Allitinib metabolite M6HCID 67335089HCID 67335089, compound

Product 1

HCID 67336524HCID 67336524, compound

Sources & evidence

ORD record
ord-c860aa37858f4e0389988b748931af9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…