Acetic Acid → 1217360-65-0

HRID 179598Notes

Reaction equation

HRID 179598 reaction equation
[B-:40]([F:41])([F:42])([F:43])[F:44].[C:27]([CH3:28])(=[O:29])[OH:30].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[ClH:1].[ClH:2].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[o:3]1[n:4][c:5]([N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]3)[CH2:16][CH2:17]2)[c:6]2[cH:7][n:8][cH:9][cH:10][c:11]12>>[o:3]1[n:4][c:5]([N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22][CH:23]([NH:26][C:27]([CH3:28])=[O:29])[CH2:24][CH2:25]3)[CH2:16][CH2:17]2)[c:6]2[cH:7][n:8][cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 59252265HCID 59252265, compound

Product 1

HCID 451107631217360-65-0

Sources & evidence

ORD record
ord-8037a213598c4284a205fc2be7f3aaf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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