2-Isopropylaniline → HCID 54380580, compound

HRID 1125095Notes

Reaction equation

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

Participants

Reactant 2

HCID 125612-Isopropylaniline

HCID 54073876HCID 54073876, compound

Product 1

HCID 54380580HCID 54380580, compound

Sources & evidence

ORD record: ord-558c3339472a40eba582762e96df3c9a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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