Tetrahydrofuran → HCID 86751574, compound

HRID 1223129Notes

Reaction equation

HRID 1223129 reaction equation
[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)[N:6]([C:15]([c:16]1[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]1)=[O:23])[CH2:7][c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[c:26]1([CH3:35])[c:27]([N:32]=[C:33]=[O:34])[cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)[N:6]([C:15]([c:16]1[cH:17][cH:18][c:19]([NH:22][C:33]([NH:32][c:27]3[c:26]([CH3:35])[cH:31][cH:30][cH:29][cH:28]3)=[O:34])[cH:20][cH:21]1)=[O:23])[CH2:7][c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 691942-Tolyl isocyanateHCID 544045372-Chloro-5-(4-aminobenzoyl)-6,11-dihydro-5H-dibenz[b,e]azepine

Product 1

HCID 86751574HCID 86751574, compound

Sources & evidence

ORD record
ord-3f2d889ba2214b4f998e0516ac1a9fa7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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