HRID664449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID416960

Methyl 2-amino-3-hydroxypropanoate

C4H9NO3

PRODUCTS

生成物

HCID22184746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40fe46daa8684e48a09b424c99ff11fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:12][O:13][C:14]([CH:15]([NH2:16])[CH2:17][OH:18])=[O:19].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][N:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][n:69]1)[CH3:70].[ClH:11].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:20].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1.[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1)[NH:16][CH:15]([C:14]([O:13][CH3:12])=[O:19])[CH2:17][OH:18]