Water → HCID 178451332, compound

HRID 168668Notes

Reaction equation

HRID 168668 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[c:11]([Cl:21])[cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:14][cH:15]1.[C:53]([O:54][C:55](=[O:56])[CH2:57][O:58][c:59]1[cH:60][cH:61][c:62]([CH2:63][CH2:64][C:65](=[O:66])[N:71]2[CH2:72][CH2:73][C:74]3([CH2:75][NH:76][C:77](=[N:79][C:80](=[O:81])[c:82]4[n:83][c:84]([Cl:90])[c:85]([NH2:89])[n:86][c:87]4[NH2:88])[NH:78]3)[CH2:91][CH2:92]2)[cH:67][cH:68]1)([CH3:69])([CH3:70])[CH3:93].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[O:94]=[CH:95][N:96]([CH3:97])[CH3:98].[OH2:99].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[c:11]([Cl:21])[cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:20])[N:71]2[CH2:72][CH2:73][C:74]3([CH2:75][NH:76][C:77](=[N:79][C:80](=[O:81])[c:82]4[n:83][c:84]([Cl:90])[c:85]([NH2:89])[n:86][c:87]4[NH2:88])[NH:78]3)[CH2:91][CH2:92]2)[cH:14][cH:15]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 667975163-(4-Tert-butoxycarbonylmethoxy-3-chloro-phenyl)-propionic acidHCID 178451330HCID 178451330, compound

Product 1

HCID 178451332HCID 178451332, compound

Sources & evidence

ORD record
ord-845589c40035494689814c5ebfb21507
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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