STK598682 → HCID 58930687, compound

HRID 673355Notes

Reaction equation

HRID 673355 reaction equation
[CH3:38][O:39][c:40]1[cH:41][c:42]([CH2:43][CH2:44][NH:45][c:46]2[cH:47][cH:48][n:49][c:50]([NH:51][CH2:52][c:53]3[cH:54][cH:55][c:56]([C:57]([OH:58])=[O:59])[cH:60][cH:61]3)[n:62]2)[cH:63][cH:64][c:65]1[O:66][CH3:67].[NH2:1][c:2]1[c:3]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][NH:17][c:18]3[n:19][c:20]([NH:21][CH2:22][CH2:23][c:24]4[cH:25][cH:26][c:27]([O:28][CH3:29])[c:30]([O:31][CH3:32])[cH:33]4)[cH:34][cH:35][n:36]3)[cH:14][cH:15]2)=[O:37])[cH:4][cH:5][cH:6][cH:7]1.[O:68]=[C:69]1[S:70][CH:71]([CH2:75][c:76]2[cH:77][cH:78][c:79]([C:80]([OH:81])=[O:82])[cH:83][cH:84]2)[C:72](=[O:74])[NH:73]1>>[NH2:1][c:2]1[c:3]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][CH:71]3[S:70][C:69](=[O:68])[NH:73][C:72]3=[O:74])[cH:14][cH:15]2)=[O:37])[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 4097443STK598682HCID 66622042HCID 66622042, compoundHCID 66622459HCID 66622459, compound

Product 1

HCID 58930687HCID 58930687, compound

Sources & evidence

ORD record
ord-9596f61442204d7680b5290cc4863560
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…