HRID2134527

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：NC(=O)c1cccc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)c1

HCID57930991

未命名化合物

结构：O=C(O)c1cc(-c2nnn[nH]2)c2ccn(C3CC3)c2c1

HCID178524187

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(-c5nnn[nH]5)c5ccn(C6CC6)c5c4)CC2)O3)c1

HCID178513630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19fa3286a8694acea84f3870e3832bfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:27]1([n:30]2[cH:31][cH:32][c:33]3[c:34](-[c:42]4[n:43][n:44][n:45][nH:46]4)[cH:35][c:36]([C:39](=[O:40])[OH:41])[cH:37][c:38]23)[CH2:28][CH2:29]1.[ClH:1].[ClH:68].[O:2]=[C:3]1[CH2:4][C:5]2([O:6][c:7]3[cH:8][cH:9][c:10](-[c:13]4[cH:14][c:15]([C:16](=[O:17])[NH2:18])[cH:19][cH:20][cH:21]4)[cH:11][c:12]31)[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:58][n:59]1[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66][n:67]1>>[O:2]=[C:3]1[CH2:4][C:5]2([O:6][c:7]3[cH:8][cH:9][c:10](-[c:13]4[cH:14][c:15]([C:16](=[O:17])[NH2:18])[cH:19][cH:20][cH:21]4)[cH:11][c:12]31)[CH2:22][CH2:23][N:24]([C:39]([c:36]1[cH:35][c:34](-[c:42]3[n:43][n:44][n:45][nH:46]3)[c:33]3[cH:32][cH:31][n:30]([CH:27]4[CH2:28][CH2:29]4)[c:38]3[cH:37]1)=[O:40])[CH2:25][CH2:26]2