Water → 4-chloro-5-[3-[N-ethyl(2-hydroxyethyl)amino]propoxy]-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
Reaction equation
[CH2:40]([CH3:41])[NH:42][CH2:43][CH2:44][OH:45].[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:16]3[n:17]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:18]4[cH:19][cH:20][c:21]([CH2:25][N:26]5[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:22][c:23]4[cH:24]3)[cH:9][c:10]1[O:11][CH2:12][CH2:13][CH2:14][Cl:15])[C:6](=[O:39])[NH:5][CH2:4]2.[OH2:46]>>[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:16]3[n:17]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:18]4[cH:19][cH:20][c:21]([CH2:25][N:26]5[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:22][c:23]4[cH:24]3)[cH:9][c:10]1[O:11][CH2:12][CH2:13][CH2:14][N:42]([CH2:40][CH3:41])[CH2:43][CH2:44][OH:45])[C:6](=[O:39])[NH:5][CH2:4]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-003a804668b74554a8f0843f091f54f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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