Water → HCID 178452118, compound

HRID 1147678Notes

Reaction equation

HRID 1147678 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:28])[C:9](=[O:27])[N:10]([c:19]3[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[OH:18])[cH:14][n:15]3)[cH:29][cH:30]1.[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][C:41]([C:44]([NH:45][C:46]2([c:49]3[n:50][cH:51][cH:52][cH:53][cH:54]3)[CH2:47][CH2:48]2)=[O:55])([NH2:56])[CH2:42][CH2:43]1.[CH:81]([N:82]([CH:83]([CH3:84])[CH3:85])[CH2:86][CH3:87])([CH3:88])[CH3:89].[O:90]=[CH:91][N:92]([CH3:93])[CH3:94].[OH2:95].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:28])[C:9](=[O:27])[N:10]([c:19]3[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]3)[c:11]3[n:12]2[c:13]([C:16](=[O:18])[NH:56][C:41]2([C:44]([NH:45][C:46]4([c:49]5[n:50][cH:51][cH:52][cH:53][cH:54]5)[CH2:47][CH2:48]4)=[O:55])[CH2:40][CH2:39][N:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[CH2:43][CH2:42]2)[cH:14][n:15]3)[cH:29][cH:30]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 584310604-Amino-4-(1-pyridin-2-yl-cyclopropylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl esterHCID 673898275-[(4-Cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxylic acid

Product 1

HCID 178452118HCID 178452118, compound

Sources & evidence

ORD record
ord-ef36aab6d8a041d79aa51c27486af875
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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