Water → HCID 3013575, compound

HRID 1201186Notes

Reaction equation

HRID 1201186 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:48]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38][CH2:39][c:40]4[cH:41][n:42][cH:43][n:44]4[CH2:45][CH2:46][CH3:47])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:60][S:61][CH3:62].[Cl:64][CH2:65][Cl:66].[OH2:63].[OH:49][O:50][C:51]([c:52]1[cH:53][c:54]([Cl:55])[cH:56][cH:57][cH:58]1)=[O:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:48]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38]([CH2:39][c:40]4[cH:41][n:42][cH:43][n:44]4[CH2:45][CH2:46][CH3:47])=[O:49])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 962WaterHCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 3013591HCID 3013591, compound

Product 1

HCID 3013575HCID 3013575, compound

Sources & evidence

ORD record
ord-61767f4db3264704bc5855bf74891706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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