Ethanol → HCID 49820978, compound

HRID 1153677Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 596035014-(1-((9-methyl-6-morpholino-2-(1-(phenylsulfonyl)-1H-indol-3-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)morpholine

Product 1

HCID 49820978HCID 49820978, compound

Sources & evidence

ORD record: ord-fd51b8cd8d864158a09133fdbc6a9724
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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