Pentane → HCID 178494740, compound
Reaction equation
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][CH2:54][CH2:55][CH2:56][CH3:57].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[NH2:10][CH2:11][c:12]1[n:13][c:14]([NH:31][CH2:32][CH:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:15]2[n:16][cH:17][n:18]([CH:21]3[O:22][CH:23]([CH2:28][O:29][CH3:30])[CH:24]([OH:27])[CH:25]3[OH:26])[c:19]2[n:20]1>>[c:2]1([NH:10][CH2:11][c:12]2[n:13][c:14]([NH:31][CH2:32][CH:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:15]3[n:16][cH:17][n:18]([CH:21]4[O:22][CH:23]([CH2:28][O:29][CH3:30])[CH:24]([OH:27])[CH:25]4[OH:26])[c:19]3[n:20]2)[n:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-e75bd9e8674b4c7d96d1077cdc2080e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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