Hydrochloric Acid → HCID 19032782, compound

HRID 158390Notes

Reaction equation

HRID 158390 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[C:44]([Cl:45])(=[O:46])[C:47]([CH3:48])([CH3:49])[CH3:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:23].[NH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:14])[NH:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30]2)[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 37799Alanine, N-(p-bromobenzenesulfonyl)-3-phenyl-, DL-HCID 62493Pivaloyl chlorideHCID 225219p-Aminophenylacetic acid ethyl ester

Product 1

HCID 19032782HCID 19032782, compound

Sources & evidence

ORD record
ord-bdb283ecd0024bc78c4cc7ad18054cae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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