Water → HCID 18509618, compound

HRID 2349780Notes

Reaction equation

HRID 2349780 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[K:1][O:2][C:3]#[N:4].[NH2:5][CH:6]1[CH2:7][CH2:8][CH:9]([n:12]2[c:13](=[O:33])[n:14]([CH2:23][c:24]3[cH:25][c:26]([Cl:32])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[c:15]3[c:16]2[cH:17][cH:18][c:19]([C:21]#[N:22])[cH:20]3)[CH2:10][CH2:11]1.[OH2:34]>>[O:2]=[C:3]([NH2:4])[NH:5][CH:6]1[CH2:7][CH2:8][CH:9]([n:12]2[c:13](=[O:33])[n:14]([CH2:23][c:24]3[cH:25][c:26]([Cl:32])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[c:15]3[c:16]2[cH:17][cH:18][c:19]([C:21]#[N:22])[cH:20]3)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 962WaterHCID 312751,4-DioxaneHCID 18509689HCID 18509689, compoundHCID 178418250HCID 178418250, compound

Product 1

HCID 18509618HCID 18509618, compound

Sources & evidence

ORD record
ord-6c2671bda185479bbde1c51741be2218
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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