Hydrochloric Acid → HCID 57750337, compound

HRID 180319Notes

Reaction equation

[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[Cl:45][CH2:46][Cl:47].[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][C:17]#[N:18])[NH:19][C:20](=[O:21])[C:22]2([NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:23][CH2:24][N:25]([c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[nH:34][cH:35][cH:36]4)[CH2:26][CH2:27]2)[cH:13][cH:14]1.[ClH:1]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][C:17]#[N:18])[NH:19][C:20](=[O:21])[C:22]2([NH2:37])[CH2:23][CH2:24][N:25]([c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[nH:34][cH:35][cH:36]4)[CH2:26][CH2:27]2)[cH:13][cH:14]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 312751,4-Dioxane

HCID 57750270tert-butyl 4-(1-(4-chlorophenyl)-2-cyanoethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 57750337HCID 57750337, compound

Sources & evidence

ORD record: ord-61ba89ad35cd42e38c886a8249d43519
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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