Acetonitrile → 3-(4-Methoxy-phenyl)-4-(1,2,2-trimethyl-propylamino)-cyclobut-3-ene-1,2-dione

HRID 204979

반응식

HRID 204979 반응식
[CH3:26][C:27]#[N:28].[CH:1]([O:2][c:5]1[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)([CH3:3])[CH3:4].[NH2:19][CH:20]([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25]>>[c:5]1([NH:19][CH:20]([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 5209072-Butanamine, 3,3-dimethyl-HCID 147378433-Isopropoxy-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

생성물 1

HCID 98607093-(4-Methoxy-phenyl)-4-(1,2,2-trimethyl-propylamino)-cyclobut-3-ene-1,2-dione

출처 및 근거

ORD 기록
ord-6719f92f04e541bfa9762605fa429b57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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