Water → HCID 69522276, compound

HRID 173586Notes

Reaction equation

HRID 173586 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:49]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][CH:46]([CH3:47])[CH3:48])[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.[CH3:61][S:62][CH3:63].[Cl:65][CH2:66][Cl:67].[OH2:64].[OH:50][O:51][C:52]([c:53]1[cH:54][c:55]([Cl:56])[cH:57][cH:58][cH:59]1)=[O:60]>>[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:49]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][CH:46]([CH3:47])[CH3:48])=[O:50])[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 69521846HCID 69521846, compound

Product 1

HCID 69522276HCID 69522276, compound

Sources & evidence

ORD record
ord-f03bd5101b8a43b1be0604eb0268ec72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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