HRID2129447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)ccnc4c3n2)cc1

HCID18628390

未命名化合物

反应SMILES：Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1

HCID23094070

2-(4-Bromophenyl)-1-phenyl-1H-benzimidazole

C19H13BrN2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)nc4c3n2)cc1

HCID59381376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1d9e23f98a544f9cb044a82d8726d736
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:6][cH:7]1.[CH2:23]([Li:24])[CH2:25][CH2:26][CH3:27].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[OH2:60].[c:28]1(-[c:34]2[n:35][c:36]3[c:37]4[n:38][cH:39][cH:40][c:41](-[c:54]5[cH:55][cH:56][cH:57][cH:58][cH:59]5)[c:42]4[cH:43][cH:44][c:45]3[c:46](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:47]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:39]2[n:38][c:37]3[c:36]4[n:35][c:34](-[c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:47][c:46](-[c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)[c:45]4[cH:44][cH:43][c:42]3[c:41](-[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[cH:40]2)[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:6][cH:7]1