3-Aminobenzonitrile → HCID 11618997, compound

HRID 1554864Notes

Reaction equation

HRID 1554864 reaction equation
[Br:34][c:35]1[cH:36][c:37]([CH3:58])[c:38]([C:41](=[O:42])[c:43]2[c:44]([CH3:57])[cH:45][cH:46][c:47](-[n:49]3[n:50][n:51][c:52]([CH2:54][CH2:55][OH:56])[cH:53]3)[cH:48]2)[cH:39][cH:40]1.[F:1][c:2]1[cH:3][c:4]([F:5])[cH:6][cH:7][c:8]1[NH:9][c:10]1[cH:11][cH:12][c:13]([C:14]([c:15]2[cH:16][c:17](-[n:18]3[cH:19][c:20]([CH2:21][CH2:22][OH:23])[n:24][n:25]3)[cH:26][cH:27][c:28]2[CH3:29])=[O:30])[c:31]([CH3:32])[cH:33]1.[NH2:59][c:60]1[cH:61][c:62]([C:63]#[N:64])[cH:65][cH:66][cH:67]1>>[c:35]1([NH:59][c:60]2[cH:61][c:62]([C:63]#[N:64])[cH:65][cH:66][cH:67]2)[cH:36][c:37]([CH3:58])[c:38]([C:41](=[O:42])[c:43]2[c:44]([CH3:57])[cH:45][cH:46][c:47](-[n:49]3[n:50][n:51][c:52]([CH2:54][CH2:55][OH:56])[cH:53]3)[cH:48]2)[cH:39][cH:40]1

Participants

4

Reactant 3

HCID 167023-AminobenzonitrileHCID 11510648HCID 11510648, compoundHCID 68418335HCID 68418335, compound

Product 1

HCID 11618997HCID 11618997, compound

Sources & evidence

ORD record
ord-63d642ba061446db9438d46086773bdf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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