Hydrochloric Acid → HCID 25258538, compound

HRID 2319543Notes

Reaction equation

HRID 2319543 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][c:12]1[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]1.[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28]([CH2:29][NH2:30])=[O:31].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH:49]1([N:50]=[C:51]=[N:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:64][CH2:65][Cl:66].[ClH:19].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][CH2:6][CH:7]([C:8](=[O:10])[NH:30][CH2:29][C:28]([O:27][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[O:31])[CH2:11][c:12]1[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 409140Benzyl glycinateHCID 25258315HCID 25258315, compound

Product 1

HCID 25258538HCID 25258538, compound

Sources & evidence

ORD record
ord-976b4574cf5a4229a067e23949b0f339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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