Water → HCID 58204000, compound

HRID 2125914Notes

Reaction equation

HRID 2125914 reaction equation
[Br:47][c:48]1[cH:49][cH:50][c:51]2[c:52]([cH:75]1)[O:53][CH2:54][CH2:55][c:56]1[c:57]-2[s:58][c:59]([C:61](=[O:62])[N:63]([CH3:64])[c:65]2[cH:66][c:67]([C:68](=[O:69])[OH:70])[cH:71][cH:72][c:73]2[Cl:74])[cH:60]1.[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[OH2:81].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([C:68]([c:67]2[cH:66][c:65]([N:63]([C:61]([c:59]3[s:58][c:57]4[c:56]([cH:60]3)[CH2:55][CH2:54][O:53][c:52]3[c:51]-4[cH:50][cH:49][c:48]([Br:47])[cH:75]3)=[O:62])[CH3:64])[c:73]([Cl:74])[cH:72][cH:71]2)=[O:69])[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 568343723-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoic acid

Product 1

HCID 58204000HCID 58204000, compound

Sources & evidence

ORD record
ord-a1c2a25fa7384e9ebc84258eeb1a00b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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