HCID 11315175, compound → HCID 86600881, compound

HRID 1117514Notes

Reaction equation

HRID 1117514 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([NH:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([O:32][CH3:33])[cH:27][c:28]([O:30][CH3:31])[cH:29]3)[CH2:22][CH2:23]2)[c:11]([O:13][CH3:14])[n:12]1.[cH:34]1[cH:35][cH:36][cH:37][c:38]2[n:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[c:46]([NH:48][c:49]3[cH:50][c:51]([NH:57][C:58]([CH:59]([CH3:60])[NH2:61])=[O:62])[cH:52][c:53]([CH2:55][OH:56])[cH:54]3)[c:47]12>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([C:6](=[O:7])[NH:61][CH:59]([C:58]([NH:57][c:51]2[cH:50][c:49]([NH:48][c:46]3[c:45]4[c:40]([n:39][c:38]5[cH:37][cH:36][cH:35][cH:34][c:47]53)[cH:41][cH:42][cH:43][cH:44]4)[cH:54][c:53]([CH2:55][OH:56])[cH:52]2)=[O:62])[CH3:60])[cH:9][c:10]([NH:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([O:32][CH3:33])[cH:27][c:28]([O:30][CH3:31])[cH:29]3)[CH2:22][CH2:23]2)[c:11]([O:13][CH3:14])[n:12]1

Participants

3

Reactant 2

HCID 11315175HCID 11315175, compoundHCID 21111628HCID 21111628, compound

Product 1

HCID 86600881HCID 86600881, compound

Sources & evidence

ORD record
ord-fb4062edac834a44819cd3fbf6658b59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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