Water → HCID 67212332, compound

HRID 288280Notes

Reaction equation

HRID 288280 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[Cl:1][c:2]1[c:3](-[c:28]2[nH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][n:32]2)[cH:4][c:5]([NH:8][c:9]2[c:10]3[c:15]([cH:16][cH:17][cH:18]2)[C:14](=[O:19])[N:13]([CH2:20][CH:21]2[O:22][C:23]([CH3:26])([CH3:27])[O:24][CH2:25]2)[CH2:12][CH2:11]3)[cH:6][cH:7]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[OH2:51]>>[Cl:1][c:2]1[c:3](-[c:28]2[nH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][n:32]2)[cH:4][c:5]([NH:8][c:9]2[c:10]3[c:15]([cH:16][cH:17][cH:18]2)[C:14](=[O:19])[N:13]([CH2:20][CH:21]([OH:22])[CH2:25][OH:24])[CH2:12][CH2:11]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 67212402HCID 67212402, compound

Product 1

HCID 67212332HCID 67212332, compound

Sources & evidence

ORD record
ord-87f8820d4c374806b0b31f44044de086
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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