HRID673955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

反应SMILES：CCOC(=O)c1c(C)nc2ncccc2c1N1CCCCC1

HCID66634229

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc2ncccc2c(N2CCCCC2)c1C(=O)NCc1cccc(C(F)(F)F)c1

HCID46908579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ba7e1dba0a0d49bca4fcbf3b3bff1a86
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

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