Water → HCID 178514061, compound

HRID 2323548Notes

Reaction equation

HRID 2323548 reaction equation
[CH2:45]([OH:46])[CH2:47][CH3:48].[Na:41][O:42][C:43]#[N:44].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:55].[c:1]1(-[c:7]2[n:8][c:9](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:10][c:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][CH:18]([N:21]4[CH2:22][CH:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]5)[CH2:24][CH2:25][CH2:26]4)[CH2:19][CH2:20]3)[cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:10][c:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][CH:18]([N:21]4[CH2:22][CH:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][N:32]([C:43](=[O:42])[NH2:44])[CH2:33][CH2:34]5)[CH2:24][CH2:25][CH2:26]4)[CH2:19][CH2:20]3)[cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 10311-PropanolHCID 312751,4-DioxaneHCID 178418852HCID 178418852, compoundHCID 178519316HCID 178519316, compound

Product 1

HCID 178514061HCID 178514061, compound

Sources & evidence

ORD record
ord-2b6249c7c14742f28e5bcd587b1d3411
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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