Acetone → HCID 18425150, compound

HRID 1220317Notes

Reaction equation

HRID 1220317 reaction equation
[CH3:53][C:54](=[O:55])[CH3:56].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[I:32][c:33]1[cH:34][cH:35][c:36]([C:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[Cl:52])[cH:37][cH:38]1.[NH2:12][CH:13]1[C:14](=[O:22])[NH:15][CH:16]1[O:17][CH2:18][CH:19]([CH3:20])[CH3:21].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[C:14](=[O:22])[NH:15][CH:16]1[O:17][CH2:18][CH:19]([CH3:20])[CH3:21])[C:39]([c:36]1[cH:35][cH:34][c:33]([I:32])[cH:38][cH:37]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 6101p-Toluenesulfonic acidHCID 81531DiisopropylethylamineHCID 18425159HCID 18425159, compoundHCID 178450383HCID 178450383, compound

Product 1

HCID 18425150HCID 18425150, compound

Sources & evidence

ORD record
ord-20cfc7abec19424e9f649f6995f6134b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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