HRID315488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

HCID10699800

未命名化合物

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1)C(C(=O)O)C(C)C

HCID68445159

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)O)C(C)C

HCID178447293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b52a661a3de5482bb1f1aff238d064da
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

[CH3:1][CH:2]([CH:3]([C:4](=[O:5])[OH:6])[N:7]([C:8]([CH2:9][CH2:10][CH2:11][CH3:12])=[O:13])[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30]([C:32]([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[n:31]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1)[CH3:51].[OH:52][C:53]([c:54]1[n:55][c:56]([CH2:57][CH2:58][CH3:59])[n:60]([CH2:61][c:62]2[cH:63][cH:64][c:65](-[c:66]3[cH:67][cH:68][cH:69][cH:70][c:71]3-[c:72]3[n:73][n:74][n:75]([C:76]([c:77]4[cH:78][cH:79][cH:80][cH:81][cH:82]4)([c:83]4[cH:84][cH:85][cH:86][cH:87][cH:88]4)[c:89]4[cH:90][cH:91][cH:92][cH:93][cH:94]4)[n:95]3)[cH:96][cH:97]2)[c:98]1[C:99]([OH:100])=[O:101])([CH3:102])[CH3:103]>>[CH3:1][CH:2]([CH:3]([C:4](=[O:5])[OH:6])[N:7]([C:8]([CH2:9][CH2:10][CH2:11][CH3:12])=[O:13])[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30][nH:31]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1)[CH3:51]