Ethyl Acetate → 1'-(1,4-Dioxa-spiro[4.5]dec-8-yl-carbamoyl)-spiro[isobenzofuran-1,4'piperidin]-3-one

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 98342553H-spiro(isobenzofuran-1,4'-piperidin)-3-one

HCID 22325328(1,4-Dioxa-spiro[4.5]dec-8-yl)-carbamoyl chloride

생성물 1

HCID 101782031'-(1,4-Dioxa-spiro[4.5]dec-8-yl-carbamoyl)-spiro[isobenzofuran-1,4'piperidin]-3-one

출처 및 근거

ORD 기록: ord-78a6b8cb0c3c448987ed3dc0ed8aca86
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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