Water → HCID 22401469, compound

HRID 1552564Notes

Reaction equation

HRID 1552564 reaction equation
[CH3:31][C:32](=[O:33])[O:34][C:35](=[O:36])[CH3:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43].[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[cH:25][c:26]([NH2:30])[cH:27][cH:28][cH:29]3)[nH:12][c:13]3[cH:14][cH:15][c:16]([Cl:19])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[cH:25][c:26]([NH:30][C:32]([CH3:31])=[O:33])[cH:27][cH:28][cH:29]3)[nH:12][c:13]3[cH:14][cH:15][c:16]([Cl:19])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 483550HCID 483550, compound

Product 1

HCID 22401469HCID 22401469, compound

Sources & evidence

ORD record
ord-946918f5a68347c7b4d04d7f71eb4d01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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