Hydrochloric Acid → HCID 66863913, compound

HRID 2312628Notes

Reaction equation

HRID 2312628 reaction equation
[C:50]([CH3:51])([CH3:52])([CH3:53])[O:54][C:55]([CH:56]([CH3:57])[NH2:58])=[O:59].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:41][C:42]([O:43][CH2:44][CH:45]([CH3:46])[CH3:47])=[O:48].[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([N:16]2[CH2:17][CH:18]([CH2:20][S:21](=[O:22])(=[O:23])[NH:24][c:25]3[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]3)[CH2:19]2)[c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)[cH:13][cH:14]1.[ClH:49].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:65]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([N:16]2[CH2:17][CH:18]([CH2:20][S:21](=[O:22])(=[O:23])[NH:24][c:25]3[cH:26][c:27]([C:28](=[O:29])[NH:58][CH:56]([C:55]([O:54][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:59])[CH3:57])[cH:31][cH:32][cH:33]3)[CH2:19]2)[c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 4351123Tert-butyl 2-aminopropanoateHCID 66864534HCID 66864534, compound

Product 1

HCID 66863913HCID 66863913, compound

Sources & evidence

ORD record
ord-a4160a9bef1d43288c21d93ba7a346a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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