HRID673851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID252023

3-Hydroxy-2-methylbenzoic Acid

C8H8O3

HCID4129318

2-Morpholineethanamine

C6H14N2O

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)C(N)Cc1ccccc1

HCID18758861

未命名化合物

PRODUCTS

生成物

结构：Cc1c(O)cccc1C(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)OC(C)(C)C

HCID19082101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-290323b84d3e4101a2be3e7d84254d1b
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

[B-:40]([F:41])([F:42])([F:43])[F:44].[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[CH:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28].[NH2:82][CH2:83][CH2:84][CH:85]1[CH2:86][NH:87][CH2:88][CH2:89][O:90]1.[OH2:62].[OH:29][c:30]1[c:31]([CH3:39])[c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]1.[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28])[C:33]([c:32]1[c:31]([CH3:39])[c:30]([OH:29])[cH:38][cH:37][cH:36]1)=[O:34]