HRID1569368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5798

Benzimidazole

C7H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID78191

Propane, 2,2',2''-[methylidynetris(oxy)]tris-

C10H22O3

HCID5062348

未命名化合物

结构：CCOC(=O)c1ccc(Oc2ncccc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID59326865

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1

HCID59326866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be75db11f30b4b82baa8a78d0bdfc0bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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