Chloroform → HCID 13653913, compound

HRID 1563258Notes

Reaction equation

HRID 1563258 reaction equation
[C:22]([Cl:23])(=[O:24])[O:25][CH3:26].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl:54][CH:55]([Cl:56])[Cl:57].[NH2:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][CH:33]([NH:36][c:37]2[n:38][c:39]3[c:40]([n:41]2[CH2:42][c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:50][cH:51][cH:52][cH:53]3)[CH2:34][CH2:35]1.[O:1]=[c:2]1[o:3][c:4]2[c:5]([cH:6][c:7]1[C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13][cH:14]2>>[O:1]=[c:2]1[o:3][c:4]2[c:5]([cH:6][c:7]1[C:8](=[O:10])[NH:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][CH:33]([NH:36][c:37]3[n:38][c:39]4[c:40]([n:41]3[CH2:42][c:43]3[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]3)[cH:50][cH:51][cH:52][cH:53]4)[CH2:34][CH2:35]1)[cH:11][cH:12][cH:13][cH:14]2

Participants

6

Reactant 5

HCID 6212ChloroformHCID 6586Methyl chloroformateHCID 8471TriethylamineHCID 10752Coumarin-3-Carboxylic AcidHCID 12891741N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine

Product 1

HCID 13653913HCID 13653913, compound

Sources & evidence

ORD record
ord-d5e9d4c32cfc4cdcbb936d4ccfda8f7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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