2-Isopropylaniline → HCID 54379034, compound

HRID 1228236Notes

Reaction equation

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

Participants

Reactant 2

HCID 125612-Isopropylaniline

HCID 53747506HCID 53747506, compound

Product 1

HCID 54379034HCID 54379034, compound

Sources & evidence

ORD record: ord-6cbf32e172e243bcb9485c216b2983e3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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