Water → HCID 69421708, compound

HRID 1143583Notes

Reaction equation

HRID 1143583 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:10][n:11]([CH2:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]2)[cH:12]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38]1)([F:39])[F:40].[OH2:41].[OH2:57].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:10][n:11]([CH2:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:36][CH2:35][c:34]3[cH:33][cH:32][c:31]([C:30]([F:29])([F:39])[F:40])[cH:38][cH:37]3)[cH:20][cH:21][cH:22]2)[cH:12]1

Participants

6

Reactant 5

HCID 962Water2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 768044-(Trifluoromethyl)benzylamineHCID 69420178HCID 69420178, compound

Product 1

HCID 69421708HCID 69421708, compound

Sources & evidence

ORD record
ord-3203538a5df04cf18fab04fcb064c994
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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