Acetonitrile → ethyl 3-(5-cyano-1H-indol-2-yl)prop-2-enoate

반응식

[CH3:39][C:40]#[N:41].[CH:1](=[O:2])[c:3]1[nH:4][c:5]2[cH:6][cH:7][c:8]([C:12]#[N:13])[cH:9][c:10]2[cH:11]1.[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[CH:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH:1]([c:3]1[nH:4][c:5]2[cH:6][cH:7][c:8]([C:12]#[N:13])[cH:9][c:10]2[cH:11]1)=[CH:33][C:34](=[O:35])[O:36][CH2:37][CH3:38]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

HCID 115791932-formyl-1H-indole-5-carbonitrile

생성물 1

HCID 67025188ethyl 3-(5-cyano-1H-indol-2-yl)prop-2-enoate

출처 및 근거

ORD 기록: ord-5524165e504d4809833d54e299c37d57
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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