Water → HCID 86603059, compound

HRID 166377Notes

Reaction equation

HRID 166377 reaction equation
[B-:8]([F:9])([F:10])([F:11])[F:12].[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[Cl:30][c:31]1[cH:32][c:33]2[cH:34][cH:35][nH:36][c:37]2[c:38]([C:41](=[O:42])[OH:43])[c:39]1[F:40].[F:44][C:45]([c:46]1[cH:47][c:48]([CH2:52][CH2:53][NH:54][CH2:55][c:56]2[cH:57][cH:58][c:59]([C:62]3([C:65]#[N:66])[CH2:63][CH2:64]3)[cH:60][cH:61]2)[cH:49][cH:50][cH:51]1)([F:67])[F:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[Cl:30][c:31]1[cH:32][c:33]2[cH:34][cH:35][nH:36][c:37]2[c:38]([C:41](=[O:43])[N:54]([CH2:53][CH2:52][c:48]2[cH:47][c:46]([C:45]([F:44])([F:67])[F:68])[cH:51][cH:50][cH:49]2)[CH2:55][c:56]2[cH:57][cH:58][c:59]([C:62]3([C:65]#[N:66])[CH2:63][CH2:64]3)[cH:60][cH:61]2)[c:39]1[F:40]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 251136475-chloro-6-fluoro-1H-indole-7-carboxylic acidHCID 693424741-(4-{[2-(3-Trifluoromethyl-phenyl)-ethylamino]-methyl}-phenyl)-cyclopropanecarbonitrile

Product 1

HCID 86603059HCID 86603059, compound

Sources & evidence

ORD record
ord-7d05b45a90d746fdbbef063cceaf3e4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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