Water → HCID 178525302, compound

HRID 671078

Reaction equation

HRID 671078 reaction equation
[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][cH:25][c:26]([CH2:27][Cl:28])[cH:29][cH:30]1.[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12].[O:31]=[C:32]=[S:33].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH2:34]>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12])[C:32]([CH2:27][c:26]1[cH:25][cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:30][cH:29]1)=[S:33]

Participants

7

Reactant 6

HCID 962WaterHCID 994Dl-PhenylalanineHCID 74824-Nitrobenzyl chlorideHCID 8471TriethylamineHCID 10039Carbonyl SulfideHCID 312751,4-Dioxane

Product 1

HCID 178525302HCID 178525302, compound

Sources & evidence

ORD record
ord-fa2a2e42b253494baeecc9e2b64aaadc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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