HRID165023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID67164

Thiamorpholine

C4H9NS

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID178525832

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1)N1CCSCC1

HCID178521225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8094dc05e54e4466a87a0c8b304c52aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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