Isopropyl isocyanate → HCID 178466418, compound

HRID 1539941Notes

Reaction equation

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

Participants

Reactant 2

HCID 61277Isopropyl isocyanate

HCID 178466405(4-aminopiperidin-1-yl)-[2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]methanone

Product 1

HCID 178466418HCID 178466418, compound

Sources & evidence

ORD record: ord-fd1ca963f11f4bd7b4da11394a4020fa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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