Water → HCID 21876485, compound

HRID 670853Notes

Reaction equation

HRID 670853 reaction equation
[Cl:1][c:2]1[c:3]([C:43]([F:44])([F:45])[F:46])[cH:4][c:5]2[c:6]([n:7](-[c:20]3[cH:21][cH:22][c:23]([CH2:26][CH2:27][NH:28][C:29](=[O:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]4[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]4)[cH:24][cH:25]3)[c:8]([CH:10]([CH3:11])[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[n:9]2)[cH:42]1.[Cl:55][CH2:56][Cl:57].[OH2:54].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[Cl:1][c:2]1[c:3]([C:43]([F:44])([F:45])[F:46])[cH:4][c:5]2[c:6]([n:7](-[c:20]3[cH:21][cH:22][c:23]([CH2:26][CH2:27][NH:28][C:29](=[O:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]4[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]4)[cH:24][cH:25]3)[c:8]([CH:10]([CH3:11])[NH2:12])[n:9]2)[cH:42]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 21875590HCID 21875590, compound

Product 1

HCID 21876485HCID 21876485, compound

Sources & evidence

ORD record
ord-7cf983d33e3d40e181f7620dd91de90a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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