Water → HCID 10283276, compound

HRID 686711Notes

Reaction equation

HRID 686711 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][C:8]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38][CH2:39][c:40]3[cH:41][n:42][cH:43][n:44]3[CH2:45][CH2:46][CH3:47])[cH:36][cH:37]2)=[CH:9][c:10]2[c:11]1[cH:12][cH:13][c:14](-[c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][CH3:28])[cH:20][cH:21]1)[cH:15]2.[CH3:59][S:60][CH3:61].[Cl:63][CH2:64][Cl:65].[OH2:62].[OH:48][O:49][C:50]([c:51]1[cH:52][c:53]([Cl:54])[cH:55][cH:56][cH:57]1)=[O:58]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][C:8]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38]([CH2:39][c:40]3[cH:41][n:42][cH:43][n:44]3[CH2:45][CH2:46][CH3:47])=[O:48])[cH:36][cH:37]2)=[CH:9][c:10]2[c:11]1[cH:12][cH:13][c:14](-[c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][CH3:28])[cH:20][cH:21]1)[cH:15]2

Participants

6

Reactant 5

HCID 962WaterHCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 69522754HCID 69522754, compound

Product 1

HCID 10283276HCID 10283276, compound

Sources & evidence

ORD record
ord-94b1e0c00ddc4bf68a4b85603c4917c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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