Water → HCID 46215557, compound

HRID 2139365Notes

Reaction equation

HRID 2139365 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:27]1([CH2:30][NH2:31])[CH2:28][CH2:29]1.[OH2:68].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[s:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23][n:24]3)[cH:25][cH:26]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:18](=[O:19])[NH:31][CH2:30][CH:27]4[CH2:28][CH2:29]4)[cH:21][cH:22][cH:23][n:24]3)[cH:25][cH:26]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 75646CyclopropanemethanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 462155562-(4-(Benzo[d]thiazol-2-ylamino)phenoxy)nicotinic acid

Product 1

HCID 46215557HCID 46215557, compound

Sources & evidence

ORD record
ord-8c9817678dec471ba8686ad59d7ddfce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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