Potassium Cation → 3-[3-benzyloxy-4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-benzyl]-3,4-dihydro-1H-benzo[1,4]diazepine-2,5-dione

HRID 1201135Notes

Reaction equation

HRID 1201135 reaction equation
[CH2:1]([O:3][C:4](=[O:2])[CH2:5][N:6]([S:7](=[O:8])(=[O:9])[NH2:10])[c:11]1[c:12]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:13][c:14]([CH2:17][CH:18]2[C:19](=[O:30])[NH:20][c:21]3[c:22]([cH:26][cH:27][cH:28][cH:29]3)[C:23](=[O:25])[NH:24]2)[cH:15][cH:16]1)[CH3:39].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[K+:45]>>[O:3]=[C:4]1[CH2:5][N:6]([c:11]2[c:12]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:13][c:14]([CH2:17][CH:18]3[C:19](=[O:30])[NH:20][c:21]4[c:22]([cH:26][cH:27][cH:28][cH:29]4)[C:23](=[O:25])[NH:24]3)[cH:15][cH:16]2)[S:7](=[O:8])(=[O:9])[NH:10]1

Participants

5

Reactant 4

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 67138957N-[2-benzyloxy-4-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[1,4]diazepin-3-ylmethyl)-phenyl]-N-[aminosulfonyl]-amino-acetic acid ethyl ester

Product 1

HCID 671383483-[3-benzyloxy-4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-benzyl]-3,4-dihydro-1H-benzo[1,4]diazepine-2,5-dione

Sources & evidence

ORD record
ord-6786d12124dd4b0da774ad573b0eb322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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