Phenylacetyl chloride → HCID 22479993, compound

HRID 2324595Notes

Reaction equation

[CH2:57]([N:58]([CH2:59][CH3:60])[CH2:61][CH3:62])[CH3:63].[O:1]1[CH:2]([n:7]2[n:8][c:9](-[c:40]3[cH:41][c:42]([NH2:46])[cH:43][cH:44][cH:45]3)[c:10]3[cH:11][c:12](-[c:16]4[n:17][n:18]([C:21]([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:19][n:20]4)[cH:13][cH:14][c:15]23)[CH2:3][CH2:4][CH2:5][CH2:6]1.[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[c:47]1([CH2:53][C:54](=[O:55])[Cl:56])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[O:1]1[CH:2]([n:7]2[n:8][c:9](-[c:40]3[cH:41][c:42]([NH:46][C:54]([CH2:53][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)=[O:55])[cH:43][cH:44][cH:45]3)[c:10]3[cH:11][c:12](-[c:16]4[n:17][n:18]([C:21]([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:19][n:20]4)[cH:13][cH:14][c:15]23)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

Reactant 4

HCID 7679Phenylacetyl chloride

HCID 8028Tetrahydrofuran

HCID 8471Triethylamine

HCID 211011823-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine

Product 1

HCID 22479993HCID 22479993, compound

Sources & evidence

ORD record: ord-173865619975417d8722612ca18ff56d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…