Oxalyl chloride → HCID 20767911, compound

Reaction equation

[CH3:1][O:2][CH:3]1[CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[n:13][cH:14][cH:15][c:16]([O:19][c:20]4[cH:21][c:22]5[c:23]([c:24]([C:28](=[O:29])[OH:30])[c:25]([CH3:27])[o:26]5)[cH:31][cH:32]4)[c:17]3[s:18]2)[CH2:6][CH2:7]1.[CH:39]1([NH2:42])[CH2:40][CH2:41]1.[Cl:33][C:34]([C:35]([Cl:36])=[O:37])=[O:38]>>[CH3:1][O:2][CH:3]1[CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[n:13][cH:14][cH:15][c:16]([O:19][c:20]4[cH:21][c:22]5[c:23]([c:24]([C:28](=[O:30])[NH:42][CH:39]6[CH2:40][CH2:41]6)[c:25]([CH3:27])[o:26]5)[cH:31][cH:32]4)[c:17]3[s:18]2)[CH2:6][CH2:7]1

Participants

Reactant 3

HCID 65578Oxalyl chloride

HCID 69828Cyclopropylamine

HCID 22143552HCID 22143552, compound

Product 1

HCID 20767911HCID 20767911, compound

Sources & evidence

ORD record: ord-1259e3d2d9dd4fd583adb1313b7d2572
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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