Water → HCID 59135970, compound

HRID 200292Notes

Reaction equation

HRID 200292 reaction equation
[C:37]([CH3:38])(=[O:39])[N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH2:26][CH:27]4[CH2:28][CH2:29]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1.[OH2:51]>>[CH2:2]([c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH2:26][CH:27]4[CH2:28][CH2:29]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1)[N:43]1[CH2:42][CH2:41][N:40]([C:37]([CH3:38])=[O:39])[CH2:45][CH2:44]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 837951-AcetylpiperazineHCID 57476076HCID 57476076, compound

Product 1

HCID 59135970HCID 59135970, compound

Sources & evidence

ORD record
ord-1680c4c3cea844d1adfd9665c9abee6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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