Water → HCID 178446935, compound

HRID 136790Notes

Reaction equation

HRID 136790 reaction equation
[CH3:73][N:74]([c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1)[CH3:81].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:34]2[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]2)[NH:13][C:14](=[O:33])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH2:26][CH3:27])([C:28](=[O:29])[OH:30])[CH2:31][CH3:32])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:72].[OH:42][CH:43]1[CH2:44][NH:45][CH2:46][CH2:47]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:34]2[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]2)[NH:13][C:14](=[O:33])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH2:26][CH3:27])([C:28](=[O:30])[N:45]2[CH2:44][CH:43]([OH:42])[CH2:47][CH2:46]2)[CH2:31][CH3:32])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 982104-HydroxypyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 749285676-chloro-4'-[5-chloro-2-(1-ethyl-1-hydroxycarbonyl-propoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl) spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

Product 1

HCID 178446935HCID 178446935, compound

Sources & evidence

ORD record
ord-988823b3355f47f6bef8d97a0f74129a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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