HRID98446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12843961

Dimethyl [(4-aminophenyl)methyl]phosphonate

C9H14NO3P

HCID69205549

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(Cc1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1)OC

HCID91332564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f179fb7f44dd498a93e9313d2e295e97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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