HRID195109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

HCID3645897

2-TERT-BUTOXYCARBONYLAMINO-3-NAPHTHALEN-2-YL-PROPIONIC ACID

C18H21NO4

结构：NC(=O)c1nc(C(N)Cc2ccc3ccccc3c2)sc1-c1ccccc1

HCID22949326

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)c1nc(C(N)=O)c(-c2ccccc2)s1

HCID22949402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af7789f8cb634e1d962e00a12ed5c4d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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