Diethyl Ether → HCID 18348383, compound
Reaction equation
[C:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)(=[O:51])[Cl:52].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[CH3:63][CH2:64][CH2:65][CH2:66][CH3:67].[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1)[C:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51]Participants
7
Sources & evidence
- ORD record
- ord-17e72ae520d7446e9647b24167df62fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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