Water → HCID 53468034, compound

HRID 2340665Notes

Reaction equation

HRID 2340665 reaction equation
[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:44][c:45]1[c:46]([CH2:52][C:53](=[O:54])[OH:55])[cH:47][cH:48][cH:49][c:50]1[F:51].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21.[OH2:65].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[N:1]1([C:53]([CH2:52][c:46]2[c:45]([F:44])[c:50]([F:51])[cH:49][cH:48][cH:47]2)=[O:54])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5207722,3-Difluorophenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668235693-(2,3-dihydro-1H-indol-5-yl)thieno[3,2-c]pyridin-4-amine

Product 1

HCID 53468034HCID 53468034, compound

Sources & evidence

ORD record
ord-975ebf5aab494397ab9a18dbca6f8b35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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