1-Butanol → HCID 67342783, compound

HRID 1225056Notes

Reaction equation

HRID 1225056 reaction equation
[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[O:39][C:40](=[O:41])[N:42]1[CH2:43][C:44]([CH3:48])([NH2:49])[CH2:45][CH2:46][CH2:47]1.[CH2:50]([OH:51])[CH2:52][CH2:53][CH3:54].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:49][C:44]2([CH3:48])[CH2:43][N:42]([C:40]([O:39][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:41])[CH2:47][CH2:46][CH2:45]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridineHCID 67323689Phenylmethyl 3-amino-3-methyl-1-piperidinecarboxylate

Product 1

HCID 67342783HCID 67342783, compound

Sources & evidence

ORD record
ord-72a79a528cc546c09242d432193a1918
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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