3-Cyanophenol → HCID 178430349, compound

HRID 698346Notes

Reaction equation

HRID 698346 reaction equation
[C:33](#[N:34])[c:35]1[cH:36][c:37]([OH:41])[cH:38][cH:39][cH:40]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[cH:6][n:7]1.[F:42][c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[O:49][c:50]1[n:51][cH:52][c:53]([C:54]([N:55]([CH3:56])[c:57]2[cH:58][cH:59][c:60]([CH2:61][N:62]3[CH2:63][CH2:64][N:65]([C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[CH:73]([CH3:74])[CH2:75]3)[cH:76][cH:77]2)=[O:78])[cH:79][cH:80]1>>[c:2]1([O:41][c:37]2[cH:36][c:35]([C:33]#[N:34])[cH:40][cH:39][cH:38]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[cH:6][n:7]1

Participants

4

Reactant 3

HCID 133943-CyanophenolHCID 178430335HCID 178430335, compoundHCID 178430347HCID 178430347, compound

Product 1

HCID 178430349HCID 178430349, compound

Sources & evidence

ORD record
ord-a81bbb26f32544fe85461a5dc6ca3e45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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