Chloride → HCID 68681415, compound

HRID 155816Notes

Reaction equation

HRID 155816 reaction equation
[C:2]([CH2:3][P+:4]([CH3:5])([CH3:6])[CH3:7])#[N:8].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:9][Si:10]([N-:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cl-:1].[F:19][c:20]1[c:21]([CH:26]([CH3:27])[OH:28])[cH:22][cH:23][cH:24][cH:25]1.[F:29][C:30]1([F:58])[CH2:31][CH2:32][N:33]([C:36](=[O:37])[c:38]2[nH:39][c:40]3[cH:41][cH:42][c:43]([C:47](=[O:48])[N:49]4[CH2:50][CH2:51][N:52]([CH:55]([CH3:56])[CH3:57])[CH2:53][CH2:54]4)[cH:44][c:45]3[cH:46]2)[CH2:34][CH2:35]1.[K+:18]>>[F:19][c:20]1[c:21]([CH:26]([CH3:27])[n:39]2[c:38]([C:36]([N:33]3[CH2:32][CH2:31][C:30]([F:29])([F:58])[CH2:35][CH2:34]3)=[O:37])[cH:46][c:45]3[c:40]2[cH:41][cH:42][c:43]([C:47](=[O:48])[N:49]2[CH2:50][CH2:51][N:52]([CH:55]([CH3:56])[CH3:57])[CH2:53][CH2:54]2)[cH:44]3)[cH:22][cH:23][cH:24][cH:25]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 813Potassium CationHCID 1140TolueneHCID 1230662-Fluoro-alpha-methylbenzenemethanolHCID 3280088Npc316347HCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 68680853(4,4-Difluoro-piperidin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

Product 1

HCID 68681415HCID 68681415, compound

Sources & evidence

ORD record
ord-8c944b1317774cfe91c6304f9af59d04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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