Water → HCID 68490898, compound

HRID 1123637Notes

Reaction equation

HRID 1123637 reaction equation
[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[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][CH:13]1[CH2:14][O:15]1)[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][CH:13]([CH2:14][N:43]1[CH2:42][CH2:41][CH2:40][CH2:45][CH2:44]1)[OH:15])[C:6](=[O:39])[NH:5][CH2:4]2

Participants

5

Reactant 4

HCID 962WaterHCID 8082PiperidineHCID 31374DimethylacetamideHCID 86628333HCID 86628333, compound

Product 1

HCID 68490898HCID 68490898, compound

Sources & evidence

ORD record
ord-e1adb3be12f54d9abde39cadcbcd3849
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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