Water → HCID 69522900, compound

HRID 313367Notes

Reaction equation

HRID 313367 reaction equation
[C:1]([OH:2])(=[O:3])[c:4]1[n:5][cH:6][cH:7][c:8]2[c:9]([NH:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[cH:10][cH:11][cH:12][c:13]12.[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[OH2:53].[c:29]1([P:30]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)(=[O:39])[N:43]=[N+:31]=[N-:32])[cH:40][cH:41][cH:42][cH:44][cH:45]1>>[c:4]1([NH2:43])[n:5][cH:6][cH:7][c:8]2[c:9]([NH:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[cH:10][cH:11][cH:12][c:13]12

Participants

6

Reactant 5

HCID 962WaterHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 199401P,P-Diphenylphosphinic azideHCID 69523056N-(1-carboxyisoquinolin-5-yl)-N'-[4-(trifluoromethyl)benzyl]urea

Product 1

HCID 69522900HCID 69522900, compound

Sources & evidence

ORD record
ord-d266178c9c6842c1b680154004e5f995
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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