HRID284113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

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

HCID22592458

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C(Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)n1

HCID22949401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ee43c31bc04d959ce13e98e7bc3fa9
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:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][CH:32]([CH2:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[cH:42][cH:43]1)[C:44](=[O:45])[OH:46].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:48][c:49]1[n:50][o:51][c:52]([CH:54]([CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[NH2:62])[n:53]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:1].[ClH:47].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][CH:32]([CH2:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[cH:42][cH:43]1)[C:44](=[O:46])[NH:62][CH:54]([c:52]1[o:51][n:50][c:49]([CH3:48])[n:53]1)[CH2:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1