Water → HCID 59442746, compound

HRID 123214Notes

Reaction equation

HRID 123214 reaction equation
[CH:20]1([c:23]2[cH:24][c:25]([NH2:35])[cH:26][c:27](-[c:29]3[n:30][n:31][n:32][n:33]3[CH3:34])[cH:28]2)[CH2:21][CH2:22]1.[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][CH:9]2[CH2:10][C:11]([CH3:17])([CH3:18])[NH:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[n:7]1.[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[c:2]1([NH:35][c:25]2[cH:24][c:23]([CH:20]3[CH2:21][CH2:22]3)[cH:28][c:27](-[c:29]3[n:30][n:31][n:32][n:33]3[CH3:34])[cH:26]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][CH:9]2[CH2:10][C:11]([CH3:17])([CH3:18])[NH:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[n:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 59442717HCID 59442717, compoundHCID 59442725HCID 59442725, compound

Product 1

HCID 59442746HCID 59442746, compound

Sources & evidence

ORD record
ord-1ad0b93f934a4c4592b7d24777d9dc1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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