HRID701069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID300148

1-Oxo-3,4-dihydro-2H-1lambda~5~-pyrrole

C4H7NO

反应SMILES：CCCCc1nc2ccc(C=CC(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID54221423

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCc1nc2ccc(C3ON4CCCC4C3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID18958919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-66f42d545d3b42bc8940a1ee673ce6d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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