Water → HCID 178520234, compound

HRID 155232Notes

Reaction equation

HRID 155232 reaction equation
[CH2:41]([N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[Cl:37][CH2:38][Cl:39].[NH2:25][c:26]1[cH:27][n:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[c:35]1[OH:36].[OH2:40].[S:1]([Cl:2])([Cl:3])=[O:4].[c:15]1([CH2:16][C:17]([Cl:18])=[O:19])[cH:20][cH:21][cH:22][cH:23][cH:24]1.[c:5]1([CH2:11][C:12](=[O:13])[OH:14])[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[c:5]1([CH2:11][C:12](=[O:14])[NH:25][c:26]2[cH:27][n:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[c:35]2[OH:36])[cH:6][cH:7][cH:8][cH:9][cH:10]1

Participants

8

Reactant 7

HCID 962WaterHCID 999Phenylacetic AcidHCID 6344DichloromethaneHCID 7679Phenylacetyl chlorideHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 178507989HCID 178507989, compound

Product 1

HCID 178520234HCID 178520234, compound

Sources & evidence

ORD record
ord-15abf1a5e6fc4a7e9b466cbcd6b3b785
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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