Afalanine → HCID 178446541, compound

HRID 1574500Notes

Reaction equation

HRID 1574500 reaction equation
[C:11]([CH3:12])(=[O:13])[NH:14][CH:15]([C:16](=[O:17])[OH:18])[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[Cl:61][CH2:62][Cl:63].[NH2:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][c:37]1[cH:38][c:39]([CH2:43][N:44]2[S:45](=[O:59])(=[O:60])[N:46]([CH2:50][c:51]3[cH:52][cH:53][c:54]([O:57][CH3:58])[cH:55][cH:56]3)[C:47](=[O:49])[CH2:48]2)[cH:40][cH:41][cH:42]1.[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[C:11]([CH3:12])(=[O:13])[NH:14][CH:15]([C:16](=[O:17])[NH:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][c:37]1[cH:38][c:39]([CH2:43][N:44]2[S:45](=[O:59])(=[O:60])[N:46]([CH2:50][c:51]3[cH:52][cH:53][c:54]([O:57][CH3:58])[cH:55][cH:56]3)[C:47](=[O:49])[CH2:48]2)[cH:40][cH:41][cH:42]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

5

Reactant 4

HCID 2000AfalanineHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 69680960HCID 69680960, compound

Product 1

HCID 178446541HCID 178446541, compound

Sources & evidence

ORD record
ord-67fedeb8cbf74576afb439f5637d75c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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