HRID1142124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID40151970

4,4-Difluoro-1-hydroxycyclohexane-1-carboxylic acid

C7H10F2O3

结构：CC(N)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

HCID178463406

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

HCID45109907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acfcd07bd2114e1294c5beb7010ceae7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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