Benzyl 3-aminopyrrolidine-1-carboxylate → Benzyl 3-{[2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylthienopyrimidin-4-yl]amino}-pyrrolidine-1-carboxylate

반응식

[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH:36]([NH2:39])[CH2:37][CH2:38]1.[O:1]=[S:2]1[CH2:3][CH2:4][N:5]([c:13]2[nH:14][c:15](=[O:23])[c:16]3[c:17]([n:18]2)[cH:19][c:20]([CH3:22])[s:21]3)[CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2>>[O:1]=[S:2]1[CH2:3][CH2:4][N:5]([c:13]2[n:14][c:15]([NH:39][CH:36]3[CH2:35][N:34]([C:32]([O:31][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)=[O:33])[CH2:38][CH2:37]3)[c:16]3[c:17]([n:18]2)[cH:19][c:20]([CH3:22])[s:21]3)[CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

참가 물질

반응물 2

HCID 2756614Benzyl 3-aminopyrrolidine-1-carboxylate

HCID 1363597882-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylthieno[3,2-d]pyrimidin-4(3H)-one

생성물 1

HCID 86680739Benzyl 3-{[2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylthienopyrimidin-4-yl]amino}-pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록: ord-4ba2e79df19e47778015540d1b7ccd15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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