HCID 11315175, compound → HCID 86600875, compound

HRID 1115718Notes

Reaction equation

HRID 1115718 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([NH:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:31][CH3:32])[cH:26][c:27]([O:29][CH3:30])[cH:28]3)[CH2:21][CH2:22]2)[c:10]([O:12][CH3:13])[n:11]1.[cH:33]1[cH:34][cH:35][cH:36][c:37]2[n:38][c:39]3[cH:40][cH:41][cH:42][cH:43][c:44]3[c:45]([NH:47][c:48]3[cH:49][c:50]([NH:56][C:57]([CH:58]([CH3:59])[NH2:60])=[O:61])[cH:51][c:52]([CH2:54][OH:55])[cH:53]3)[c:46]12>>[CH2:1]([CH3:2])[c:3]1[c:4]([C:5](=[O:6])[NH:60][CH:58]([C:57]([NH:56][c:50]2[cH:49][c:48]([NH:47][c:45]3[c:44]4[c:39]([n:38][c:37]5[cH:36][cH:35][cH:34][cH:33][c:46]53)[cH:40][cH:41][cH:42][cH:43]4)[cH:53][c:52]([CH2:54][OH:55])[cH:51]2)=[O:61])[CH3:59])[cH:8][c:9]([NH:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:31][CH3:32])[cH:26][c:27]([O:29][CH3:30])[cH:28]3)[CH2:21][CH2:22]2)[c:10]([O:12][CH3:13])[n:11]1

Participants

3

Reactant 2

HCID 11315175HCID 11315175, compoundHCID 21111624HCID 21111624, compound

Product 1

HCID 86600875HCID 86600875, compound

Sources & evidence

ORD record
ord-90d2da50913a43daae9be3fb00a5026e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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