HRID163237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

结构：CCC(CC)C(Nc1ccc(C(=O)O)cc1)c1oc2ccc(OC)cc2c1C

HCID66777509

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OC)cc3c2C)C(CC)CC)cc1

HCID66777222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5d279f76bb5424aa15efbb3f3e27b9f
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

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