2-[4-(4-Aminophenyl)piperidin-1-yl]ethan-1-ol → 2-[4-(4-{7-[3-(Pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}phenyl)-piperidin-1-yl]ethanol
Reaction equation
[N:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20][c:21]([OH:24])[n:22][n:23]34)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:25][c:26]1[cH:27][cH:28][c:29]([CH:32]2[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][OH:40])[CH2:36][CH2:37]2)[cH:30][cH:31]1>>[N:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20][c:21]([NH:25][c:26]5[cH:27][cH:28][c:29]([CH:32]6[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][OH:40])[CH2:36][CH2:37]6)[cH:30][cH:31]5)[n:22][n:23]34)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Sources & evidence
- ORD record
- ord-d27103bd21514491adb130d2a04b8a81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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