Water → HCID 77253091, compound

HRID 2145325Notes

Reaction equation

HRID 2145325 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1.[NH2:22][CH:23]1[CH:24]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:44]>>[c:2]1([NH:22][CH:23]2[CH:24]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:25][CH2:26][CH2:27][CH2:28]2)[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1

Participants

6

Reactant 5

HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 3268011tert-Butyl (2-aminocyclohexyl)carbamateHCID 58317587Methyl 6-chloro-4-cyano-2-(m-tolylamino)nicotinate

Product 1

HCID 77253091HCID 77253091, compound

Sources & evidence

ORD record
ord-8e64f279192641e490f92376d9aa705e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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