Hydrochloric Acid → HCID 49779585, compound

HRID 2334302Notes

Reaction equation

HRID 2334302 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][N:29]1[CH2:30][CH2:31][N:32]([c:35]2[n:36][c:37]([NH2:51])[n:38][c:39](-[c:41]3[cH:42][cH:43][c:44]4[c:49]([cH:50]3)[CH2:48][NH:47][CH2:46][CH2:45]4)[cH:40]2)[CH2:33][CH2:34]1.[CH3:58][C:59]#[N:60].[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[Cl:12][c:13]1[c:14]([F:20])[c:15]([NH2:16])[cH:17][cH:18][cH:19]1.[Cl:1][C:2]([Cl:3])=[O:4].[ClH:52]>>[C:2](=[O:4])([NH:16][c:15]1[c:14]([F:20])[c:13]([Cl:12])[cH:19][cH:18][cH:17]1)[N:47]1[CH2:46][CH2:45][c:44]2[cH:43][cH:42][c:41](-[c:39]3[n:38][c:37]([NH2:51])[n:36][c:35]([N:32]4[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]4)[cH:40]3)[cH:50][c:49]2[CH2:48]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 6342AcetonitrileHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 750143-Chloro-2-fluoroanilineHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 49779585HCID 49779585, compound

Sources & evidence

ORD record
ord-7ebbabd16e714b0da30a1e7ab6fbf060
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…