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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 107750
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HRID 107750 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([Cl:23])[cH:11][c:12]([CH2:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[OH:22])[cH:13][c:14]1[CH3:15].[CH2:44]1[CH2:46][CH2:45][CH2:47][O:48]1.[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]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([Cl:23])[cH:11][c:12]([CH2:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[O:22][C:47]([N:24]2[CH2:25][CH2:26][CH:27]([N:30]3[C:31](=[O:41])[NH:32][c:33]4[c:34]([cH:37][cH:38][cH:39][cH:40]4)[CH2:35][CH2:36]3)[CH2:28][CH2:29]2)=[O:48])[cH:13][c:14]1[CH3:15]
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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-c6d11851fc684bb4b18460a69def441a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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