HRID108496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID600591

3-Methyl-1-benzofuran-2-carboxylic acid

C10H8O3

结构：Cc1ncc(Cn2c(NC3CCN(C4CCNC(Cc5ccccc5)C4)CC3)nc3ccccc32)o1

HCID18687512

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(Cn2c(NC3CCN(C4CCN(C(=O)c5oc6ccccc6c5C)C(Cc5ccccc5)C4)CC3)nc3ccccc32)o1

HCID178432786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bacb8765f8a4c268e0a423c8a0b05a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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