Water → HCID 69521340, compound

HRID 1134118Notes

Reaction equation

HRID 1134118 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:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]4[c:35]([n:36]([CH3:49])[c:37]([S:39][CH2:40][c:41]5[cH:42][n:43][cH:44][n:45]5[CH2:46][CH2:47][CH3:48])[n:38]4)[cH:50][cH:51]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:64][S:65][CH3:66].[Cl:68][CH2:69][Cl:70].[OH2:67].[OH:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:59])[cH:60][cH:61][cH:62]1)=[O:63]>>[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:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]4[c:35]([n:36]([CH3:49])[c:37]([S:39]([CH2:40][c:41]5[cH:42][n:43][cH:44][n:45]5[CH2:46][CH2:47][CH3:48])=[O:53])[n:38]4)[cH:50][cH:51]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 69522294HCID 69522294, compound

Product 1

HCID 69521340HCID 69521340, compound

Sources & evidence

ORD record
ord-55bbbd17039248388eefedfd39cf6765
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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