HCID 66768878, compound → 1-{3-[(2-([1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]oxy)ethyl)oxy}phenyl]methanamine
Reaction equation
[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]2[cH:16][n:17][c:18]([S:19][CH2:20][CH2:21][O:22][c:23]3[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][n:30]3)[n:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:37]1([C:43]([n:44]2[n:45][c:46]([O:49][CH2:50][CH2:51][O:52][c:53]3[cH:54][c:55]([C:56]#[N:57])[cH:58][cH:59][cH:60]3)[n:47][cH:48]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:37]1([C:43]([n:44]2[n:45][c:46]([O:49][CH2:50][CH2:51][O:52][c:53]3[cH:54][c:55]([CH2:56][NH2:57])[cH:58][cH:59][cH:60]3)[n:47][cH:48]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1Participants
3
Sources & evidence
- ORD record
- ord-c7a2ec7acccd4f07869d5bb970951223
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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