Chloride → HCID 68681896, compound

HRID 1132826Notes

Reaction equation

HRID 1132826 reaction equation
[C:2]([CH2:3][P+:4]([CH3:5])([CH3:6])[CH3:7])#[N:8].[CH3:19][CH:20]([OH:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:9][Si:10]([N-:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cl-:1].[F:28][C:29]1([F:57])[CH2:30][CH2:31][N:32]([C:35](=[O:36])[c:37]2[nH:38][c:39]3[cH:40][cH:41][c:42]([C:46](=[O:47])[N:48]4[CH2:49][CH2:50][N:51]([CH:54]([CH3:55])[CH3:56])[CH2:52][CH2:53]4)[cH:43][c:44]3[cH:45]2)[CH2:33][CH2:34]1.[K+:18]>>[CH3:19][CH:20]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[n:38]1[c:37]([C:35]([N:32]2[CH2:31][CH2:30][C:29]([F:28])([F:57])[CH2:34][CH2:33]2)=[O:36])[cH:45][c:44]2[c:39]1[cH:40][cH:41][c:42]([C:46](=[O:47])[N:48]1[CH2:49][CH2:50][N:51]([CH:54]([CH3:55])[CH3:56])[CH2:52][CH2:53]1)[cH:43]2

Participants

8

Reactant 7

HCID 312ChlorideHCID 813Potassium CationHCID 1140TolueneHCID 74091-PhenylethanolHCID 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 68681896HCID 68681896, compound

Sources & evidence

ORD record
ord-567b8688b9c24729a2d2853becaa046b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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