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Hydroxide → [3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

HRID 1560342
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HRID 1560342 반응식
[CH2:44]1[CH2:46][CH2:45][CH2:47][O:48]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:21])[c:9]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:10]([CH3:12])[cH:11]1)[OH:22])=[O:23].[Li+:43].[NH:24]1[CH2:25][CH2:26][CH:27]([N:30]2[C:31](=[O:41])[NH:32][c:33]3[c:34]([cH:37][cH:38][cH:39][cH:40]3)[CH2:35][CH2:36]2)[CH2:28][CH2:29]1.[OH-:42].[OH2:49]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:21])[c:9]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:10]([CH3:12])[cH:11]1)[O:22][C:47]([N:24]1[CH2:25][CH2:26][CH:27]([N:30]2[C:31](=[O:41])[NH:32][c:33]3[c:34]([cH:37][cH:38][cH:39][cH:40]3)[CH2:35][CH2:36]2)[CH2:28][CH2:29]1)=[O:48])=[O:23]
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반응물 6

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 113795873-(Piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 77201947Methyl 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-2-hydroxypropanoate

생성물 1

HCID 68676920
[3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-efafd869c1b34945b85f66bc0b372911
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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