Ethanolamine → HCID 67215887, compound
Reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:1][c:2]1[n:3][c:4]([S:23][CH2:24][c:25]2[n:26][c:27](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[o:28][cH:29]2)[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][c:12]([F:20])[c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[NH2:37][CH2:38][CH2:39][OH:40]>>[c:2]1([NH:37][CH2:38][CH2:39][OH:40])[n:3][c:4]([S:23][CH2:24][c:25]2[n:26][c:27](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[o:28][cH:29]2)[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][c:12]([F:20])[c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]Participants
4
Sources & evidence
- ORD record
- ord-cbcb63fc9e684073b8352f0694a3c803
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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