Ethanol → HCID 178436506, compound

HRID 1151387Notes

Reaction equation

HRID 1151387 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH2:13][CH:14]([CH:17]([OH:18])[c:19]2[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH:27][c:28]3[n:29][cH:30][c:31]([C:45]#[N:46])[c:32](-[c:34]4[cH:35][n:36][c:37]5[n:38]4[cH:39][cH:40][cH:41][c:42]5[CH2:43][CH3:44])[n:33]3)[cH:23][cH:24]2)[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:47][CH2:48][OH:49].[OH-:50].[OH-:52].[Pd+2:51]>>[NH:11]1[CH2:12][CH2:13][CH:14]([CH:17]([OH:18])[c:19]2[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH:27][c:28]3[n:29][cH:30][c:31]([C:45]#[N:46])[c:32](-[c:34]4[cH:35][n:36][c:37]5[n:38]4[cH:39][cH:40][cH:41][c:42]5[CH2:43][CH3:44])[n:33]3)[cH:23][cH:24]2)[CH2:15][CH2:16]1

Participants

5

Sources & evidence

ORD record
ord-45e6202dc76f4d98b077bf3a020b69cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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