Water → HCID 178497082, compound

HRID 292805Notes

Reaction equation

HRID 292805 reaction equation
[O:1]1[CH:2]2[CH:3]1[CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:30](=[O:31])[O:32][CH3:33])[C:13]4([CH3:14])[CH2:15][CH:16]([NH:21][C:22](=[O:23])[O:24][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29])[CH:17]3[C:18]1([CH3:20])[CH2:19]2.[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:45].[S:34]([OH:35])(=[O:36])(=[O:37])[OH:38]>>[OH:1][CH:2]1[CH:3]([OH:35])[CH2:4][CH:5]2[CH2:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:30](=[O:31])[O:32][CH3:33])[C:13]4([CH3:14])[CH2:15][CH:16]([NH:21][C:22](=[O:23])[O:24][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29])[CH:17]3[C:18]2([CH3:20])[CH2:19]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 312751,4-DioxaneHCID 178497056HCID 178497056, compound

Product 1

HCID 178497082HCID 178497082, compound

Sources & evidence

ORD record
ord-536886abe4e44e198762b35305f440c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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