Water → HCID 178525301, compound

HRID 200975

Reaction equation

HRID 200975 reaction equation
[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cl:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[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:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[O:26]=[C:27]=[S:28].[OH2:41]>>[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:27](=[S:28])[CH2:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12

Participants

8

Reactant 7

HCID 962WaterHCID 994Dl-PhenylalanineHCID 68451-ChloromethylnaphthaleneHCID 8058HexaneHCID 8471TriethylamineHCID 10039Carbonyl SulfideHCID 312751,4-Dioxane

Product 1

HCID 178525301HCID 178525301, compound

Sources & evidence

ORD record
ord-187251f431b24f06ae9e70c9b815272e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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