5-Isocyanatoisoquinoline → HCID 10022547, compound

Reaction equation

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

Participants

Reactant 3

HCID 115863575-Isocyanatoisoquinoline

HCID 222283825-Isocyanato-3-methylisoquinoline

HCID 223377063-Fluoro-4-(1-pyrrolidinyl)benzylamine

Product 1

HCID 10022547HCID 10022547, compound

Sources & evidence

ORD record: ord-bd2280d05e21462aa00a234ff0b74644
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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