HRID196320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15513

Methyl hydrogen terephthalate

C9H8O4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(c1cccc2ccccc12)N(CC1CCNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID72536010

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)cc1

HCID178497980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44fce4b7d4042488b27a563bd2a2936
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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