HRID103708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4962316

2,3-Dihydro-8-methoxy-1,4-benzodioxin-6-carboxylic acid

C10H10O5

结构：CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCNC3)CC2)nc2ccccc21

HCID22009100

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(OC)c5c(c4)OCCO5)C3)CC2)nc2ccccc21

HCID20642267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4cb8737a3e443e3b7cbc1af66ad46cb
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

[CH2:17]([CH3:18])[O:19][CH2:20][CH2:21][n:22]1[c:23]([NH:31][CH:32]2[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][C:40]3([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:41][NH:42][CH2:43][CH2:44]3)[CH2:36][CH2:37]2)[n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]2[c:11]1[O:12][CH2:13][CH2:14][O:15]2.[ClH:16]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:8])[N:42]2[CH2:41][C:40]([CH2:39][CH2:38][N:35]3[CH2:34][CH2:33][CH:32]([NH:31][c:23]4[n:22]([CH2:21][CH2:20][O:19][CH2:17][CH3:18])[c:26]5[c:25]([n:24]4)[cH:30][cH:29][cH:28][cH:27]5)[CH2:37][CH2:36]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:44][CH2:43]2)[cH:9][c:10]2[c:11]1[O:12][CH2:13][CH2:14][O:15]2