HRID314789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

结构：NC(=O)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

HCID6915696

3-(4-Carbamoyl-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid

C25H22N2O5

HCID178418300

未命名化合物

HCID178420113

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2CCCCC2c2nc(-c3ccccc3)c[nH]2)cc1

HCID178513637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-318292ce3c394915bfb1f36bd65f2744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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