Hydrochloric Acid → HCID 69232929, compound

HRID 662262Notes

Reaction equation

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

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 312751,4-Dioxane

HCID 178463516tert-butyl 4-[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazine-1-carboxylate

Product 1

HCID 69232929HCID 69232929, compound

Sources & evidence

ORD record: ord-ebcd464468e449319fb913ad493f78d3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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