Water → HCID 178477023, compound

HRID 1119920Notes

Reaction equation

HRID 1119920 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([CH2:23][O:24][CH2:25][CH2:26][OH:27])[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1.[CH3:36][C:37]#[N:38].[Cl:28][S:29](=[O:30])(=[O:31])[N:32]=[C:33]=[O:34].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([CH2:23][O:24][CH2:25][CH2:26][O:27][C:33]([NH2:32])=[O:34])[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 70918Chlorosulfonyl isocyanateHCID 178477024HCID 178477024, compound

Product 1

HCID 178477023HCID 178477023, compound

Sources & evidence

ORD record
ord-432ccc0ffa1548ecba1ee10074aee116
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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