Ammonium → HCID 178513652, compound

HRID 86021

Reaction equation

HRID 86021 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[Cl-:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][n:28]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15](-[c:19]4[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:16][cH:17][n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2.[Cl:53][CH2:54][Cl:55].[NH2:29][C:30](=[O:31])[CH:32]1[CH2:33][CH2:34][CH2:35][NH:36]1.[NH4+:45]>>[c:2]1([N:36]2[CH:32]([C:30]([NH2:29])=[O:31])[CH2:33][CH2:34][CH2:35]2)[cH:3][c:4]2[c:5]([cH:27][n:28]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15](-[c:19]4[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:16][cH:17][n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 550774Pyrrolidine-2-carboxamideHCID 582050058-Chloro-2-[2-(2,4-difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulene

Product 1

HCID 178513652HCID 178513652, compound

Sources & evidence

ORD record
ord-5cd8ed7a951542b2898f6bba31899c73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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