Ethanolamine → HCID 19600242, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][c:17]3[c:18]([cH:21][c:22]([C:24](=[O:25])[OH:26])[o:23]3)[CH2:19][CH2:20]2)[cH:27][cH:28]1.[C:40]([Cl:41])([Cl:42])([Cl:43])[Cl:44].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:66][C:67]#[N:68].[NH2:29][CH2:30][CH2:31][OH:32].[Na+:65].[OH-:64].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][c:17]3[c:18]([cH:21][c:22]([C:24](=[O:25])[NH:29][CH2:30][CH2:31][OH:32])[o:23]3)[CH2:19][CH2:20]2)[cH:27][cH:28]1Participants
9
Sources & evidence
- ORD record
- ord-ae544a95f1c04f67a293e4ced15e4207
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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